USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot 30:sc=-0.00273 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-6.7!) USER MOD Set 2.1: A 78 CYS SG : rot 54:sc= -0.923 USER MOD Set 2.2: A 137 MET CE :methyl 157:sc= -0.674 (180deg=-2.24) USER MOD Set 3.1: A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 SER OG : rot -160:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot -161:sc= 0.398 USER MOD Set 4.2: A 61 GLN :FLIP amide:sc= -0.0948 F(o=-0.25,f=0.3) USER MOD Set 5.1: A 25 GLN : amide:sc= -0.239 X(o=0.76,f=0.72) USER MOD Set 5.2: A 28 SER OG : rot -28:sc= 1 USER MOD Set 6.1: A 9 ASN : amide:sc= 0.402 K(o=0.74,f=-0.35) USER MOD Set 6.2: A 47 HIS : no HD1:sc= 0.375 K(o=0.74,f=-0.35) USER MOD Set 6.3: A 60 ASN : amide:sc= -0.0404 K(o=0.74,f=0.11) USER MOD Single : A 8 CYS SG : rot 178:sc= -1.37 USER MOD Single : A 14 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.65) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -165:sc= -0.075 (180deg=-0.325) USER MOD Single : A 20 SER OG : rot -41:sc= 0.94 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.428 USER MOD Single : A 40 THR OG1 : rot -109:sc= -0.598 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00461 X(o=-0.0046,f=-0.31) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 74 THR OG1 : rot -24:sc= 1.21 USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 83 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -2.22 X(o=-2.2,f=-1.9) USER MOD Single : A 114 CYS SG : rot 22:sc= -0.484 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 131 ASN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -5.891 -5.823 -16.633 1.00 0.00 N ATOM 55 CA GLY A 5 -6.454 -4.479 -16.864 1.00 0.00 C ATOM 56 C GLY A 5 -6.935 -3.840 -15.551 1.00 0.00 C ATOM 57 O GLY A 5 -8.132 -3.654 -15.347 1.00 0.00 O ATOM 0 HA2 GLY A 5 -5.700 -3.841 -17.326 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.287 -4.547 -17.564 1.00 0.00 H new ATOM 61 N ALA A 6 -5.991 -3.647 -14.635 1.00 0.00 N ATOM 62 CA ALA A 6 -6.244 -3.002 -13.334 1.00 0.00 C ATOM 63 C ALA A 6 -5.249 -1.859 -13.124 1.00 0.00 C ATOM 64 O ALA A 6 -4.047 -2.059 -13.249 1.00 0.00 O ATOM 65 CB ALA A 6 -6.109 -4.027 -12.204 1.00 0.00 C ATOM 0 H ALA A 6 -5.021 -3.932 -14.767 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.258 -2.601 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.298 -3.541 -11.247 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.832 -4.829 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.101 -4.442 -12.208 1.00 0.00 H new ATOM 71 N ALA A 7 -5.784 -0.685 -12.811 1.00 0.00 N ATOM 72 CA ALA A 7 -5.003 0.555 -12.610 1.00 0.00 C ATOM 73 C ALA A 7 -5.888 1.637 -11.982 1.00 0.00 C ATOM 74 O ALA A 7 -6.804 2.168 -12.607 1.00 0.00 O ATOM 75 CB ALA A 7 -4.404 1.076 -13.925 1.00 0.00 C ATOM 0 H ALA A 7 -6.788 -0.553 -12.685 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.178 0.316 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.839 1.988 -13.731 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.741 0.321 -14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.207 1.290 -14.631 1.00 0.00 H new ATOM 81 N CYS A 8 -5.740 1.750 -10.671 1.00 0.00 N ATOM 82 CA CYS A 8 -6.461 2.772 -9.888 1.00 0.00 C ATOM 83 C CYS A 8 -5.526 3.884 -9.395 1.00 0.00 C ATOM 84 O CYS A 8 -4.339 3.869 -9.700 1.00 0.00 O ATOM 85 CB CYS A 8 -7.204 2.094 -8.734 1.00 0.00 C ATOM 86 SG CYS A 8 -8.619 1.105 -9.339 1.00 0.00 S ATOM 0 H CYS A 8 -5.129 1.151 -10.116 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.189 3.260 -10.535 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.517 1.450 -8.185 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.560 2.850 -8.034 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.194 0.512 -8.336 1.00 0.00 H new ATOM 92 N ASN A 9 -6.058 4.786 -8.580 1.00 0.00 N ATOM 93 CA ASN A 9 -5.292 5.913 -8.018 1.00 0.00 C ATOM 94 C ASN A 9 -5.143 5.784 -6.510 1.00 0.00 C ATOM 95 O ASN A 9 -6.128 5.668 -5.778 1.00 0.00 O ATOM 96 CB ASN A 9 -5.965 7.250 -8.307 1.00 0.00 C ATOM 97 CG ASN A 9 -5.430 7.854 -9.596 1.00 0.00 C ATOM 98 OD1 ASN A 9 -6.094 7.896 -10.622 1.00 0.00 O ATOM 99 ND2 ASN A 9 -4.196 8.298 -9.545 1.00 0.00 N ATOM 0 H ASN A 9 -7.034 4.765 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.313 5.882 -8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.043 7.111 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.792 7.937 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.762 8.694 -10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.671 8.247 -8.672 1.00 0.00 H new ATOM 106 N VAL A 10 -3.884 5.748 -6.098 1.00 0.00 N ATOM 107 CA VAL A 10 -3.527 5.644 -4.673 1.00 0.00 C ATOM 108 C VAL A 10 -2.392 6.636 -4.375 1.00 0.00 C ATOM 109 O VAL A 10 -1.491 6.859 -5.179 1.00 0.00 O ATOM 110 CB VAL A 10 -3.188 4.198 -4.223 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.179 3.150 -4.741 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.753 3.753 -4.507 1.00 0.00 C ATOM 0 H VAL A 10 -3.082 5.789 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.403 5.908 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.286 4.255 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.881 2.162 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.178 3.381 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.183 3.160 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.613 2.730 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.563 3.799 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.058 4.413 -3.987 1.00 0.00 H new ATOM 122 N LEU A 11 -2.415 7.167 -3.172 1.00 0.00 N ATOM 123 CA LEU A 11 -1.357 8.071 -2.720 1.00 0.00 C ATOM 124 C LEU A 11 -0.272 7.228 -2.029 1.00 0.00 C ATOM 125 O LEU A 11 -0.532 6.536 -1.045 1.00 0.00 O ATOM 126 CB LEU A 11 -2.053 9.132 -1.856 1.00 0.00 C ATOM 127 CG LEU A 11 -1.218 10.272 -1.266 1.00 0.00 C ATOM 128 CD1 LEU A 11 -0.372 9.741 -0.134 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.320 10.972 -2.277 1.00 0.00 C ATOM 0 H LEU A 11 -3.148 6.995 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.828 8.604 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.843 9.580 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.538 8.616 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.929 11.020 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.223 10.552 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.018 9.326 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.291 8.962 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.237 11.766 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.378 10.252 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.931 11.400 -3.071 1.00 0.00 H new ATOM 141 N PHE A 12 0.885 7.219 -2.678 1.00 0.00 N ATOM 142 CA PHE A 12 2.111 6.565 -2.191 1.00 0.00 C ATOM 143 C PHE A 12 2.623 7.310 -0.959 1.00 0.00 C ATOM 144 O PHE A 12 2.779 8.533 -0.980 1.00 0.00 O ATOM 145 CB PHE A 12 3.179 6.644 -3.284 1.00 0.00 C ATOM 146 CG PHE A 12 4.550 6.075 -2.912 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.465 6.846 -2.201 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.881 4.784 -3.294 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.703 6.320 -1.857 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.123 4.265 -2.964 1.00 0.00 C ATOM 151 CZ PHE A 12 7.031 5.026 -2.236 1.00 0.00 C ATOM 0 H PHE A 12 1.009 7.676 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 12 1.899 5.526 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.813 6.115 -4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.304 7.688 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.211 7.856 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.173 4.185 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.408 6.916 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.387 3.265 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.991 4.610 -1.966 1.00 0.00 H new ATOM 161 N ILE A 13 3.052 6.497 -0.009 1.00 0.00 N ATOM 162 CA ILE A 13 3.671 7.025 1.214 1.00 0.00 C ATOM 163 C ILE A 13 5.161 6.664 1.209 1.00 0.00 C ATOM 164 O ILE A 13 5.989 7.511 0.887 1.00 0.00 O ATOM 165 CB ILE A 13 2.942 6.522 2.474 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.432 6.796 2.473 1.00 0.00 C ATOM 167 CG2 ILE A 13 3.608 7.103 3.721 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.103 8.275 2.358 1.00 0.00 C ATOM 0 H ILE A 13 2.989 5.480 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 13 3.580 8.111 1.235 1.00 0.00 H new ATOM 0 HB ILE A 13 3.034 5.436 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.970 6.260 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.995 6.401 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.090 6.745 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.651 6.788 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.559 8.191 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.021 8.409 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.538 8.811 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.513 8.668 1.428 1.00 0.00 H new ATOM 180 N ASN A 14 5.449 5.456 1.692 1.00 0.00 N ATOM 181 CA ASN A 14 6.807 4.913 1.833 1.00 0.00 C ATOM 182 C ASN A 14 6.755 3.480 2.367 1.00 0.00 C ATOM 183 O ASN A 14 5.740 3.030 2.905 1.00 0.00 O ATOM 184 CB ASN A 14 7.623 5.765 2.811 1.00 0.00 C ATOM 185 CG ASN A 14 8.923 6.230 2.161 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.029 6.530 0.979 1.00 0.00 O ATOM 187 ND2 ASN A 14 9.975 6.231 2.943 1.00 0.00 N ATOM 0 H ASN A 14 4.727 4.807 2.006 1.00 0.00 H new ATOM 0 HA ASN A 14 7.277 4.925 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.038 6.629 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.845 5.187 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.889 6.483 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.879 5.980 3.927 1.00 0.00 H new ATOM 194 N SER A 15 7.874 2.798 2.176 1.00 0.00 N ATOM 195 CA SER A 15 8.065 1.426 2.665 1.00 0.00 C ATOM 196 C SER A 15 8.954 1.454 3.909 1.00 0.00 C ATOM 197 O SER A 15 9.941 2.183 4.002 1.00 0.00 O ATOM 198 CB SER A 15 8.694 0.542 1.587 1.00 0.00 C ATOM 199 OG SER A 15 9.989 1.012 1.207 1.00 0.00 O ATOM 0 H SER A 15 8.681 3.174 1.678 1.00 0.00 H new ATOM 0 HA SER A 15 7.092 1.004 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.772 -0.481 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.045 0.517 0.712 1.00 0.00 H new ATOM 0 HG SER A 15 10.362 0.423 0.518 1.00 0.00 H new ATOM 205 N VAL A 16 8.462 0.751 4.912 1.00 0.00 N ATOM 206 CA VAL A 16 9.134 0.648 6.219 1.00 0.00 C ATOM 207 C VAL A 16 9.396 -0.821 6.552 1.00 0.00 C ATOM 208 O VAL A 16 8.479 -1.646 6.619 1.00 0.00 O ATOM 209 CB VAL A 16 8.391 1.396 7.344 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.501 2.914 7.174 1.00 0.00 C ATOM 211 CG2 VAL A 16 6.913 1.040 7.395 1.00 0.00 C ATOM 0 H VAL A 16 7.586 0.231 4.856 1.00 0.00 H new ATOM 0 HA VAL A 16 10.095 1.157 6.143 1.00 0.00 H new ATOM 0 HB VAL A 16 8.871 1.083 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.966 3.410 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.550 3.208 7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.065 3.206 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.433 1.592 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.443 1.302 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.802 -0.030 7.571 1.00 0.00 H new ATOM 221 N GLU A 17 10.678 -1.158 6.447 1.00 0.00 N ATOM 222 CA GLU A 17 11.145 -2.526 6.726 1.00 0.00 C ATOM 223 C GLU A 17 10.744 -2.934 8.144 1.00 0.00 C ATOM 224 O GLU A 17 10.922 -2.195 9.108 1.00 0.00 O ATOM 225 CB GLU A 17 12.663 -2.662 6.586 1.00 0.00 C ATOM 226 CG GLU A 17 13.038 -3.494 5.355 1.00 0.00 C ATOM 227 CD GLU A 17 13.674 -2.667 4.230 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.209 -1.526 4.002 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.607 -3.214 3.606 1.00 0.00 O ATOM 0 H GLU A 17 11.416 -0.510 6.172 1.00 0.00 H new ATOM 0 HA GLU A 17 10.676 -3.179 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.113 -1.672 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.072 -3.130 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.731 -4.280 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.144 -3.987 4.973 1.00 0.00 H new ATOM 236 N MET A 18 10.111 -4.092 8.189 1.00 0.00 N ATOM 237 CA MET A 18 9.660 -4.691 9.452 1.00 0.00 C ATOM 238 C MET A 18 10.570 -5.816 9.955 1.00 0.00 C ATOM 239 O MET A 18 10.323 -6.365 11.022 1.00 0.00 O ATOM 240 CB MET A 18 8.235 -5.215 9.305 1.00 0.00 C ATOM 241 CG MET A 18 7.324 -4.417 10.235 1.00 0.00 C ATOM 242 SD MET A 18 6.685 -2.871 9.498 1.00 0.00 S ATOM 243 CE MET A 18 7.503 -1.699 10.553 1.00 0.00 C ATOM 0 H MET A 18 9.892 -4.648 7.363 1.00 0.00 H new ATOM 0 HA MET A 18 9.699 -3.896 10.197 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.901 -5.117 8.272 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.194 -6.275 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.482 -5.044 10.528 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.873 -4.175 11.145 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.039 -0.719 10.437 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.416 -2.021 11.591 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.556 -1.637 10.280 1.00 0.00 H new ATOM 253 N GLU A 19 11.461 -6.279 9.071 1.00 0.00 N ATOM 254 CA GLU A 19 12.377 -7.420 9.320 1.00 0.00 C ATOM 255 C GLU A 19 11.621 -8.748 9.519 1.00 0.00 C ATOM 256 O GLU A 19 12.044 -9.635 10.253 1.00 0.00 O ATOM 257 CB GLU A 19 13.285 -7.137 10.528 1.00 0.00 C ATOM 258 CG GLU A 19 14.629 -6.545 10.110 1.00 0.00 C ATOM 259 CD GLU A 19 15.026 -5.330 10.956 1.00 0.00 C ATOM 260 OE1 GLU A 19 14.819 -5.354 12.190 1.00 0.00 O ATOM 261 OE2 GLU A 19 15.461 -4.353 10.312 1.00 0.00 O ATOM 0 H GLU A 19 11.575 -5.870 8.143 1.00 0.00 H new ATOM 0 HA GLU A 19 12.994 -7.529 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.781 -6.448 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.453 -8.062 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.401 -7.310 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.583 -6.253 9.061 1.00 0.00 H new ATOM 268 N SER A 20 10.473 -8.822 8.840 1.00 0.00 N ATOM 269 CA SER A 20 9.474 -9.910 8.910 1.00 0.00 C ATOM 270 C SER A 20 8.846 -9.979 10.308 1.00 0.00 C ATOM 271 O SER A 20 9.435 -10.465 11.271 1.00 0.00 O ATOM 272 CB SER A 20 9.979 -11.301 8.487 1.00 0.00 C ATOM 273 OG SER A 20 10.730 -11.951 9.514 1.00 0.00 O ATOM 0 H SER A 20 10.193 -8.088 8.189 1.00 0.00 H new ATOM 0 HA SER A 20 8.724 -9.641 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.128 -11.925 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.599 -11.202 7.596 1.00 0.00 H new ATOM 0 HG SER A 20 11.313 -11.299 9.955 1.00 0.00 H new ATOM 279 N LEU A 21 7.750 -9.247 10.434 1.00 0.00 N ATOM 280 CA LEU A 21 6.975 -9.285 11.682 1.00 0.00 C ATOM 281 C LEU A 21 6.134 -10.567 11.773 1.00 0.00 C ATOM 282 O LEU A 21 6.485 -11.497 12.490 1.00 0.00 O ATOM 283 CB LEU A 21 6.163 -7.998 11.844 1.00 0.00 C ATOM 284 CG LEU A 21 6.520 -7.265 13.144 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.947 -6.712 13.142 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.551 -6.111 13.363 1.00 0.00 C ATOM 0 H LEU A 21 7.377 -8.631 9.712 1.00 0.00 H new ATOM 0 HA LEU A 21 7.658 -9.325 12.530 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.347 -7.342 10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.099 -8.235 11.840 1.00 0.00 H new ATOM 0 HG LEU A 21 6.448 -7.997 13.948 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.142 -6.204 14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.655 -7.532 13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.062 -6.005 12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.806 -5.592 14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.618 -5.416 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.534 -6.498 13.433 1.00 0.00 H new ATOM 298 N THR A 22 5.082 -10.615 10.956 1.00 0.00 N ATOM 299 CA THR A 22 4.056 -11.691 10.953 1.00 0.00 C ATOM 300 C THR A 22 2.990 -11.457 9.868 1.00 0.00 C ATOM 301 O THR A 22 2.776 -12.286 8.986 1.00 0.00 O ATOM 302 CB THR A 22 3.415 -11.936 12.346 1.00 0.00 C ATOM 303 OG1 THR A 22 2.186 -12.650 12.224 1.00 0.00 O ATOM 304 CG2 THR A 22 3.170 -10.683 13.195 1.00 0.00 C ATOM 0 H THR A 22 4.903 -9.895 10.256 1.00 0.00 H new ATOM 0 HA THR A 22 4.587 -12.610 10.705 1.00 0.00 H new ATOM 0 HB THR A 22 4.166 -12.522 12.876 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.802 -12.794 13.114 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.720 -10.970 14.146 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.118 -10.178 13.380 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.497 -10.009 12.664 1.00 0.00 H new ATOM 312 N GLY A 23 2.439 -10.238 9.893 1.00 0.00 N ATOM 313 CA GLY A 23 1.397 -9.811 8.939 1.00 0.00 C ATOM 314 C GLY A 23 0.464 -8.786 9.602 1.00 0.00 C ATOM 315 O GLY A 23 0.777 -7.595 9.497 1.00 0.00 O ATOM 0 H GLY A 23 2.698 -9.520 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.860 -9.374 8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.822 -10.675 8.605 1.00 0.00 H new ATOM 319 N PRO A 24 -0.495 -9.234 10.437 1.00 0.00 N ATOM 320 CA PRO A 24 -1.421 -8.347 11.180 1.00 0.00 C ATOM 321 C PRO A 24 -0.772 -7.622 12.380 1.00 0.00 C ATOM 322 O PRO A 24 -1.353 -7.455 13.448 1.00 0.00 O ATOM 323 CB PRO A 24 -2.571 -9.270 11.586 1.00 0.00 C ATOM 324 CG PRO A 24 -1.876 -10.608 11.827 1.00 0.00 C ATOM 325 CD PRO A 24 -0.811 -10.651 10.730 1.00 0.00 C ATOM 0 HA PRO A 24 -1.755 -7.512 10.564 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.077 -8.912 12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.325 -9.343 10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.432 -10.658 12.821 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.571 -11.443 11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.075 -11.191 11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.181 -11.163 9.842 1.00 0.00 H new ATOM 333 N GLN A 25 0.448 -7.152 12.145 1.00 0.00 N ATOM 334 CA GLN A 25 1.259 -6.402 13.120 1.00 0.00 C ATOM 335 C GLN A 25 2.189 -5.406 12.420 1.00 0.00 C ATOM 336 O GLN A 25 2.211 -4.233 12.768 1.00 0.00 O ATOM 337 CB GLN A 25 2.083 -7.371 13.970 1.00 0.00 C ATOM 338 CG GLN A 25 2.606 -6.731 15.260 1.00 0.00 C ATOM 339 CD GLN A 25 1.462 -6.413 16.220 1.00 0.00 C ATOM 340 OE1 GLN A 25 0.962 -7.262 16.940 1.00 0.00 O ATOM 341 NE2 GLN A 25 0.974 -5.196 16.190 1.00 0.00 N ATOM 0 H GLN A 25 0.920 -7.281 11.250 1.00 0.00 H new ATOM 0 HA GLN A 25 0.580 -5.841 13.762 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.471 -8.237 14.222 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.926 -7.736 13.383 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.313 -7.405 15.743 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.149 -5.817 15.021 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.397 -4.492 15.586 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.171 -4.954 16.771 1.00 0.00 H new ATOM 350 N ALA A 26 2.798 -5.837 11.318 1.00 0.00 N ATOM 351 CA ALA A 26 3.666 -4.971 10.507 1.00 0.00 C ATOM 352 C ALA A 26 2.886 -3.817 9.877 1.00 0.00 C ATOM 353 O ALA A 26 3.356 -2.694 9.915 1.00 0.00 O ATOM 354 CB ALA A 26 4.340 -5.818 9.445 1.00 0.00 C ATOM 0 H ALA A 26 2.708 -6.788 10.960 1.00 0.00 H new ATOM 0 HA ALA A 26 4.420 -4.520 11.152 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.988 -5.189 8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.935 -6.596 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.582 -6.279 8.812 1.00 0.00 H new ATOM 360 N ILE A 27 1.613 -4.065 9.576 1.00 0.00 N ATOM 361 CA ILE A 27 0.672 -3.025 9.121 1.00 0.00 C ATOM 362 C ILE A 27 0.516 -1.943 10.214 1.00 0.00 C ATOM 363 O ILE A 27 0.817 -0.799 9.920 1.00 0.00 O ATOM 364 CB ILE A 27 -0.664 -3.653 8.678 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.413 -4.776 7.659 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.552 -2.585 8.020 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.545 -5.806 7.595 1.00 0.00 C ATOM 0 H ILE A 27 1.197 -4.994 9.639 1.00 0.00 H new ATOM 0 HA ILE A 27 1.071 -2.525 8.239 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.160 -4.060 9.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.276 -4.336 6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.517 -5.285 7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.494 -3.036 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.750 -1.786 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.042 -2.174 7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.301 -6.569 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.667 -6.273 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.473 -5.310 7.311 1.00 0.00 H new ATOM 379 N SER A 28 0.452 -2.325 11.490 1.00 0.00 N ATOM 380 CA SER A 28 0.345 -1.322 12.577 1.00 0.00 C ATOM 381 C SER A 28 1.709 -0.725 12.953 1.00 0.00 C ATOM 382 O SER A 28 1.849 0.488 12.926 1.00 0.00 O ATOM 383 CB SER A 28 -0.352 -1.848 13.835 1.00 0.00 C ATOM 384 OG SER A 28 0.441 -2.821 14.516 1.00 0.00 O ATOM 0 H SER A 28 0.471 -3.296 11.803 1.00 0.00 H new ATOM 0 HA SER A 28 -0.285 -0.535 12.162 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.563 -1.017 14.508 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.311 -2.288 13.562 1.00 0.00 H new ATOM 0 HG SER A 28 1.014 -3.285 13.871 1.00 0.00 H new ATOM 390 N LYS A 29 2.739 -1.563 13.052 1.00 0.00 N ATOM 391 CA LYS A 29 4.131 -1.139 13.325 1.00 0.00 C ATOM 392 C LYS A 29 4.712 -0.256 12.198 1.00 0.00 C ATOM 393 O LYS A 29 5.765 0.347 12.361 1.00 0.00 O ATOM 394 CB LYS A 29 4.985 -2.391 13.533 1.00 0.00 C ATOM 395 CG LYS A 29 6.046 -2.228 14.628 1.00 0.00 C ATOM 396 CD LYS A 29 5.718 -3.160 15.797 1.00 0.00 C ATOM 397 CE LYS A 29 6.973 -3.698 16.494 1.00 0.00 C ATOM 398 NZ LYS A 29 7.513 -2.803 17.527 1.00 0.00 N ATOM 0 H LYS A 29 2.640 -2.572 12.945 1.00 0.00 H new ATOM 0 HA LYS A 29 4.138 -0.523 14.224 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.335 -3.227 13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.478 -2.646 12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.034 -2.460 14.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.075 -1.194 14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.106 -2.625 16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.122 -3.997 15.433 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.739 -4.661 16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.744 -3.878 15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.359 -3.234 17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.768 -1.891 17.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.795 -2.650 18.264 1.00 0.00 H new ATOM 412 N ALA A 30 4.034 -0.251 11.053 1.00 0.00 N ATOM 413 CA ALA A 30 4.318 0.595 9.881 1.00 0.00 C ATOM 414 C ALA A 30 3.410 1.826 9.832 1.00 0.00 C ATOM 415 O ALA A 30 3.896 2.930 10.006 1.00 0.00 O ATOM 416 CB ALA A 30 4.060 -0.202 8.611 1.00 0.00 C ATOM 0 H ALA A 30 3.232 -0.863 10.903 1.00 0.00 H new ATOM 0 HA ALA A 30 5.357 0.915 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.269 0.421 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.708 -1.078 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.018 -0.521 8.587 1.00 0.00 H new ATOM 422 N VAL A 31 2.096 1.615 9.881 1.00 0.00 N ATOM 423 CA VAL A 31 1.091 2.704 9.879 1.00 0.00 C ATOM 424 C VAL A 31 1.318 3.661 11.067 1.00 0.00 C ATOM 425 O VAL A 31 1.283 4.879 10.903 1.00 0.00 O ATOM 426 CB VAL A 31 -0.335 2.116 9.883 1.00 0.00 C ATOM 427 CG1 VAL A 31 -1.412 3.196 10.032 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.610 1.340 8.594 1.00 0.00 C ATOM 0 H VAL A 31 1.685 0.682 9.924 1.00 0.00 H new ATOM 0 HA VAL A 31 1.208 3.288 8.966 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.383 1.450 10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.397 2.730 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.265 3.729 10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.340 3.898 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.622 0.936 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.510 2.008 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.105 0.523 8.502 1.00 0.00 H new ATOM 438 N ALA A 32 1.724 3.086 12.194 1.00 0.00 N ATOM 439 CA ALA A 32 2.040 3.832 13.427 1.00 0.00 C ATOM 440 C ALA A 32 3.462 4.421 13.423 1.00 0.00 C ATOM 441 O ALA A 32 3.694 5.447 14.051 1.00 0.00 O ATOM 442 CB ALA A 32 1.821 2.963 14.668 1.00 0.00 C ATOM 0 H ALA A 32 1.847 2.078 12.288 1.00 0.00 H new ATOM 0 HA ALA A 32 1.349 4.674 13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.062 3.538 15.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.779 2.645 14.710 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.466 2.086 14.616 1.00 0.00 H new ATOM 448 N GLU A 33 4.342 3.873 12.585 1.00 0.00 N ATOM 449 CA GLU A 33 5.718 4.393 12.413 1.00 0.00 C ATOM 450 C GLU A 33 5.920 5.084 11.050 1.00 0.00 C ATOM 451 O GLU A 33 7.013 5.148 10.486 1.00 0.00 O ATOM 452 CB GLU A 33 6.727 3.254 12.586 1.00 0.00 C ATOM 453 CG GLU A 33 6.732 2.718 14.019 1.00 0.00 C ATOM 454 CD GLU A 33 8.150 2.736 14.584 1.00 0.00 C ATOM 455 OE1 GLU A 33 8.881 1.753 14.335 1.00 0.00 O ATOM 456 OE2 GLU A 33 8.469 3.745 15.249 1.00 0.00 O ATOM 0 H GLU A 33 4.133 3.061 12.005 1.00 0.00 H new ATOM 0 HA GLU A 33 5.881 5.150 13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.486 2.446 11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.724 3.608 12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.076 3.324 14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.339 1.702 14.036 1.00 0.00 H new ATOM 463 N THR A 34 4.802 5.523 10.484 1.00 0.00 N ATOM 464 CA THR A 34 4.782 6.223 9.190 1.00 0.00 C ATOM 465 C THR A 34 3.915 7.483 9.241 1.00 0.00 C ATOM 466 O THR A 34 4.368 8.557 8.868 1.00 0.00 O ATOM 467 CB THR A 34 4.344 5.245 8.092 1.00 0.00 C ATOM 468 OG1 THR A 34 5.358 4.255 7.926 1.00 0.00 O ATOM 469 CG2 THR A 34 4.124 5.935 6.757 1.00 0.00 C ATOM 0 H THR A 34 3.879 5.407 10.904 1.00 0.00 H new ATOM 0 HA THR A 34 5.788 6.571 8.954 1.00 0.00 H new ATOM 0 HB THR A 34 3.398 4.803 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.209 3.524 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.815 5.200 6.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.347 6.692 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.051 6.409 6.435 1.00 0.00 H new ATOM 477 N LEU A 35 2.704 7.358 9.768 1.00 0.00 N ATOM 478 CA LEU A 35 1.816 8.524 9.938 1.00 0.00 C ATOM 479 C LEU A 35 2.352 9.518 10.984 1.00 0.00 C ATOM 480 O LEU A 35 2.186 10.725 10.845 1.00 0.00 O ATOM 481 CB LEU A 35 0.403 8.046 10.268 1.00 0.00 C ATOM 482 CG LEU A 35 -0.387 7.621 9.023 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.170 6.396 8.289 1.00 0.00 C ATOM 484 CD2 LEU A 35 -1.815 7.334 9.459 1.00 0.00 C ATOM 0 H LEU A 35 2.307 6.474 10.086 1.00 0.00 H new ATOM 0 HA LEU A 35 1.786 9.075 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.461 7.206 10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.135 8.844 10.779 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.317 8.441 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.456 6.174 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.188 6.602 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.175 5.539 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.405 7.028 8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.816 6.534 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.250 8.233 9.895 1.00 0.00 H new ATOM 496 N VAL A 36 3.165 8.964 11.879 1.00 0.00 N ATOM 497 CA VAL A 36 3.850 9.694 12.965 1.00 0.00 C ATOM 498 C VAL A 36 5.340 9.902 12.613 1.00 0.00 C ATOM 499 O VAL A 36 6.033 10.620 13.333 1.00 0.00 O ATOM 500 CB VAL A 36 3.709 8.944 14.312 1.00 0.00 C ATOM 501 CG1 VAL A 36 4.081 9.843 15.498 1.00 0.00 C ATOM 502 CG2 VAL A 36 2.302 8.388 14.566 1.00 0.00 C ATOM 0 H VAL A 36 3.378 7.966 11.877 1.00 0.00 H new ATOM 0 HA VAL A 36 3.377 10.670 13.073 1.00 0.00 H new ATOM 0 HB VAL A 36 4.400 8.105 14.231 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.970 9.284 16.427 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.115 10.173 15.394 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.423 10.712 15.517 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.281 7.876 15.528 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.583 9.207 14.575 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.040 7.685 13.775 1.00 0.00 H new ATOM 512 N ALA A 37 5.820 9.296 11.515 1.00 0.00 N ATOM 513 CA ALA A 37 7.213 9.434 11.042 1.00 0.00 C ATOM 514 C ALA A 37 7.660 10.899 11.119 1.00 0.00 C ATOM 515 O ALA A 37 6.906 11.817 10.802 1.00 0.00 O ATOM 516 CB ALA A 37 7.363 8.923 9.608 1.00 0.00 C ATOM 0 H ALA A 37 5.250 8.691 10.924 1.00 0.00 H new ATOM 0 HA ALA A 37 7.846 8.830 11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.398 9.037 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.084 7.870 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.713 9.497 8.947 1.00 0.00 H new ATOM 522 N ASP A 38 8.666 11.052 11.966 1.00 0.00 N ATOM 523 CA ASP A 38 9.217 12.367 12.312 1.00 0.00 C ATOM 524 C ASP A 38 10.723 12.408 12.000 1.00 0.00 C ATOM 525 O ASP A 38 11.500 11.807 12.743 1.00 0.00 O ATOM 526 CB ASP A 38 8.894 12.733 13.769 1.00 0.00 C ATOM 527 CG ASP A 38 9.450 14.102 14.185 1.00 0.00 C ATOM 528 OD1 ASP A 38 9.647 14.953 13.284 1.00 0.00 O ATOM 529 OD2 ASP A 38 9.698 14.263 15.397 1.00 0.00 O ATOM 0 H ASP A 38 9.128 10.273 12.436 1.00 0.00 H new ATOM 0 HA ASP A 38 8.742 13.130 11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.813 12.730 13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.301 11.967 14.428 1.00 0.00 H new ATOM 534 N PRO A 39 11.067 13.066 10.889 1.00 0.00 N ATOM 535 CA PRO A 39 10.137 13.716 9.938 1.00 0.00 C ATOM 536 C PRO A 39 9.395 12.707 9.043 1.00 0.00 C ATOM 537 O PRO A 39 9.809 11.555 8.923 1.00 0.00 O ATOM 538 CB PRO A 39 11.014 14.685 9.148 1.00 0.00 C ATOM 539 CG PRO A 39 12.380 13.999 9.136 1.00 0.00 C ATOM 540 CD PRO A 39 12.471 13.316 10.501 1.00 0.00 C ATOM 0 HA PRO A 39 9.327 14.233 10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.633 14.839 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.061 15.664 9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.455 13.276 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.186 14.720 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.037 12.386 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.976 13.951 11.229 1.00 0.00 H new ATOM 548 N THR A 40 8.202 13.108 8.609 1.00 0.00 N ATOM 549 CA THR A 40 7.337 12.239 7.779 1.00 0.00 C ATOM 550 C THR A 40 7.745 12.285 6.292 1.00 0.00 C ATOM 551 O THR A 40 8.180 13.341 5.828 1.00 0.00 O ATOM 552 CB THR A 40 5.836 12.514 8.024 1.00 0.00 C ATOM 553 OG1 THR A 40 5.129 11.291 7.814 1.00 0.00 O ATOM 554 CG2 THR A 40 5.198 13.617 7.166 1.00 0.00 C ATOM 0 H THR A 40 7.804 14.025 8.812 1.00 0.00 H new ATOM 0 HA THR A 40 7.496 11.208 8.097 1.00 0.00 H new ATOM 0 HB THR A 40 5.764 12.888 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.609 11.352 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.145 13.718 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.710 14.562 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.286 13.355 6.112 1.00 0.00 H new ATOM 562 N PRO A 41 7.680 11.152 5.584 1.00 0.00 N ATOM 563 CA PRO A 41 7.950 11.119 4.138 1.00 0.00 C ATOM 564 C PRO A 41 6.825 11.812 3.360 1.00 0.00 C ATOM 565 O PRO A 41 5.684 11.923 3.810 1.00 0.00 O ATOM 566 CB PRO A 41 8.084 9.636 3.792 1.00 0.00 C ATOM 567 CG PRO A 41 7.185 8.950 4.818 1.00 0.00 C ATOM 568 CD PRO A 41 7.378 9.792 6.078 1.00 0.00 C ATOM 0 HA PRO A 41 8.856 11.660 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.759 9.431 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.117 9.297 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.143 8.941 4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.478 7.913 4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.481 9.787 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.192 9.405 6.691 1.00 0.00 H new ATOM 576 N THR A 42 7.226 12.326 2.207 1.00 0.00 N ATOM 577 CA THR A 42 6.320 13.040 1.288 1.00 0.00 C ATOM 578 C THR A 42 5.421 12.024 0.575 1.00 0.00 C ATOM 579 O THR A 42 5.815 10.909 0.239 1.00 0.00 O ATOM 580 CB THR A 42 7.130 13.913 0.312 1.00 0.00 C ATOM 581 OG1 THR A 42 7.932 14.805 1.091 1.00 0.00 O ATOM 582 CG2 THR A 42 6.264 14.739 -0.650 1.00 0.00 C ATOM 0 H THR A 42 8.187 12.266 1.872 1.00 0.00 H new ATOM 0 HA THR A 42 5.673 13.718 1.844 1.00 0.00 H new ATOM 0 HB THR A 42 7.726 13.244 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.462 15.374 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.907 15.327 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.648 14.070 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.621 15.407 -0.078 1.00 0.00 H new ATOM 590 N ALA A 43 4.200 12.486 0.374 1.00 0.00 N ATOM 591 CA ALA A 43 3.113 11.737 -0.264 1.00 0.00 C ATOM 592 C ALA A 43 3.036 12.063 -1.768 1.00 0.00 C ATOM 593 O ALA A 43 2.892 13.226 -2.153 1.00 0.00 O ATOM 594 CB ALA A 43 1.870 12.204 0.488 1.00 0.00 C ATOM 0 H ALA A 43 3.920 13.425 0.658 1.00 0.00 H new ATOM 0 HA ALA A 43 3.242 10.656 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.991 11.700 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.974 11.964 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.756 13.282 0.369 1.00 0.00 H new ATOM 600 N THR A 44 3.142 11.029 -2.601 1.00 0.00 N ATOM 601 CA THR A 44 3.055 11.185 -4.075 1.00 0.00 C ATOM 602 C THR A 44 1.896 10.393 -4.705 1.00 0.00 C ATOM 603 O THR A 44 1.611 9.261 -4.318 1.00 0.00 O ATOM 604 CB THR A 44 4.396 10.900 -4.783 1.00 0.00 C ATOM 605 OG1 THR A 44 4.290 11.227 -6.170 1.00 0.00 O ATOM 606 CG2 THR A 44 4.893 9.456 -4.663 1.00 0.00 C ATOM 0 H THR A 44 3.289 10.068 -2.292 1.00 0.00 H new ATOM 0 HA THR A 44 2.827 12.238 -4.238 1.00 0.00 H new ATOM 0 HB THR A 44 5.127 11.525 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.010 10.784 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.841 9.352 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.034 9.206 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.158 8.781 -5.101 1.00 0.00 H new ATOM 614 N ILE A 45 1.221 11.015 -5.665 1.00 0.00 N ATOM 615 CA ILE A 45 0.060 10.395 -6.346 1.00 0.00 C ATOM 616 C ILE A 45 0.580 9.335 -7.333 1.00 0.00 C ATOM 617 O ILE A 45 1.345 9.633 -8.255 1.00 0.00 O ATOM 618 CB ILE A 45 -0.832 11.426 -7.072 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.205 12.649 -6.208 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.080 10.762 -7.679 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.994 12.384 -4.922 1.00 0.00 C ATOM 0 H ILE A 45 1.449 11.951 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.573 9.933 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.223 11.819 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.284 13.166 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.786 13.334 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.685 11.516 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.774 10.003 -8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.666 10.296 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.188 13.328 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.941 11.903 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.415 11.732 -4.268 1.00 0.00 H new ATOM 633 N VAL A 46 0.238 8.092 -7.018 1.00 0.00 N ATOM 634 CA VAL A 46 0.614 6.927 -7.844 1.00 0.00 C ATOM 635 C VAL A 46 -0.617 6.102 -8.254 1.00 0.00 C ATOM 636 O VAL A 46 -1.725 6.275 -7.743 1.00 0.00 O ATOM 637 CB VAL A 46 1.709 6.050 -7.193 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.958 6.864 -6.841 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.231 5.231 -5.993 1.00 0.00 C ATOM 0 H VAL A 46 -0.305 7.852 -6.189 1.00 0.00 H new ATOM 0 HA VAL A 46 1.057 7.329 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 46 1.974 5.322 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.702 6.210 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.370 7.308 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.691 7.654 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.061 4.646 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.860 5.903 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.431 4.560 -6.306 1.00 0.00 H new ATOM 649 N HIS A 47 -0.395 5.221 -9.215 1.00 0.00 N ATOM 650 CA HIS A 47 -1.446 4.298 -9.675 1.00 0.00 C ATOM 651 C HIS A 47 -1.135 2.852 -9.265 1.00 0.00 C ATOM 652 O HIS A 47 0.024 2.440 -9.249 1.00 0.00 O ATOM 653 CB HIS A 47 -1.656 4.451 -11.185 1.00 0.00 C ATOM 654 CG HIS A 47 -2.394 5.759 -11.553 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.561 5.828 -12.167 1.00 0.00 N ATOM 656 CD2 HIS A 47 -1.886 6.988 -11.498 1.00 0.00 C ATOM 657 CE1 HIS A 47 -3.767 7.103 -12.522 1.00 0.00 C ATOM 658 NE2 HIS A 47 -2.734 7.826 -12.099 1.00 0.00 N ATOM 0 H HIS A 47 0.498 5.117 -9.697 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.385 4.558 -9.186 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.688 4.431 -11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.226 3.600 -11.557 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.945 7.262 -11.043 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.625 7.479 -13.060 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.612 8.832 -12.212 1.00 0.00 H new ATOM 666 N PHE A 48 -2.180 2.181 -8.789 1.00 0.00 N ATOM 667 CA PHE A 48 -2.117 0.785 -8.311 1.00 0.00 C ATOM 668 C PHE A 48 -2.601 -0.177 -9.404 1.00 0.00 C ATOM 669 O PHE A 48 -3.787 -0.211 -9.742 1.00 0.00 O ATOM 670 CB PHE A 48 -2.995 0.631 -7.065 1.00 0.00 C ATOM 671 CG PHE A 48 -2.363 -0.281 -6.009 1.00 0.00 C ATOM 672 CD1 PHE A 48 -1.436 0.256 -5.133 1.00 0.00 C ATOM 673 CD2 PHE A 48 -2.749 -1.605 -5.860 1.00 0.00 C ATOM 674 CE1 PHE A 48 -0.869 -0.506 -4.121 1.00 0.00 C ATOM 675 CE2 PHE A 48 -2.199 -2.375 -4.840 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.255 -1.831 -3.973 1.00 0.00 C ATOM 0 H PHE A 48 -3.112 2.589 -8.720 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.083 0.543 -8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.177 1.613 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.965 0.227 -7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.147 1.291 -5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.474 -2.037 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.136 -0.073 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.507 -3.403 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.825 -2.437 -3.189 1.00 0.00 H new ATOM 686 N LYS A 49 -1.632 -0.862 -9.998 1.00 0.00 N ATOM 687 CA LYS A 49 -1.869 -1.857 -11.058 1.00 0.00 C ATOM 688 C LYS A 49 -1.674 -3.268 -10.496 1.00 0.00 C ATOM 689 O LYS A 49 -0.591 -3.638 -10.053 1.00 0.00 O ATOM 690 CB LYS A 49 -0.955 -1.584 -12.262 1.00 0.00 C ATOM 691 CG LYS A 49 -1.058 -2.625 -13.387 1.00 0.00 C ATOM 692 CD LYS A 49 -1.172 -1.922 -14.740 1.00 0.00 C ATOM 693 CE LYS A 49 -0.230 -2.517 -15.791 1.00 0.00 C ATOM 694 NZ LYS A 49 -0.708 -3.783 -16.361 1.00 0.00 N ATOM 0 H LYS A 49 -0.646 -0.748 -9.761 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.897 -1.778 -11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.195 -0.602 -12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.078 -1.542 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.181 -3.272 -13.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.927 -3.263 -13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.200 -1.992 -15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.949 -0.862 -14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.095 -1.794 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.749 -2.678 -15.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.007 -4.145 -17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.844 -4.477 -15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.612 -3.624 -16.850 1.00 0.00 H new ATOM 708 N VAL A 50 -2.802 -3.948 -10.374 1.00 0.00 N ATOM 709 CA VAL A 50 -2.834 -5.334 -9.869 1.00 0.00 C ATOM 710 C VAL A 50 -2.959 -6.281 -11.069 1.00 0.00 C ATOM 711 O VAL A 50 -3.922 -6.255 -11.828 1.00 0.00 O ATOM 712 CB VAL A 50 -3.960 -5.545 -8.843 1.00 0.00 C ATOM 713 CG1 VAL A 50 -3.953 -6.970 -8.277 1.00 0.00 C ATOM 714 CG2 VAL A 50 -3.838 -4.568 -7.670 1.00 0.00 C ATOM 0 H VAL A 50 -3.718 -3.571 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.909 -5.550 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.893 -5.369 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.763 -7.079 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.091 -7.685 -9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.000 -7.161 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.649 -4.744 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.882 -4.718 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.896 -3.545 -8.041 1.00 0.00 H new ATOM 724 N SER A 51 -1.904 -7.061 -11.210 1.00 0.00 N ATOM 725 CA SER A 51 -1.749 -8.038 -12.306 1.00 0.00 C ATOM 726 C SER A 51 -1.324 -9.379 -11.706 1.00 0.00 C ATOM 727 O SER A 51 -0.826 -9.402 -10.583 1.00 0.00 O ATOM 728 CB SER A 51 -0.684 -7.547 -13.296 1.00 0.00 C ATOM 729 OG SER A 51 -1.146 -6.409 -14.034 1.00 0.00 O ATOM 0 H SER A 51 -1.113 -7.045 -10.566 1.00 0.00 H new ATOM 0 HA SER A 51 -2.693 -8.152 -12.839 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.226 -7.288 -12.755 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.427 -8.351 -13.986 1.00 0.00 H new ATOM 0 HG SER A 51 -0.613 -6.310 -14.850 1.00 0.00 H new ATOM 735 N ALA A 52 -1.388 -10.445 -12.507 1.00 0.00 N ATOM 736 CA ALA A 52 -0.894 -11.787 -12.110 1.00 0.00 C ATOM 737 C ALA A 52 0.542 -11.769 -11.548 1.00 0.00 C ATOM 738 O ALA A 52 0.880 -12.540 -10.653 1.00 0.00 O ATOM 739 CB ALA A 52 -0.976 -12.731 -13.313 1.00 0.00 C ATOM 0 H ALA A 52 -1.780 -10.414 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.534 -12.139 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.614 -13.718 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.011 -12.807 -13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.361 -12.341 -14.124 1.00 0.00 H new ATOM 745 N GLN A 53 1.327 -10.795 -12.016 1.00 0.00 N ATOM 746 CA GLN A 53 2.676 -10.484 -11.508 1.00 0.00 C ATOM 747 C GLN A 53 2.666 -10.126 -10.007 1.00 0.00 C ATOM 748 O GLN A 53 3.410 -10.723 -9.233 1.00 0.00 O ATOM 749 CB GLN A 53 3.237 -9.297 -12.298 1.00 0.00 C ATOM 750 CG GLN A 53 4.741 -9.460 -12.521 1.00 0.00 C ATOM 751 CD GLN A 53 5.069 -10.137 -13.857 1.00 0.00 C ATOM 752 OE1 GLN A 53 4.272 -10.805 -14.504 1.00 0.00 O ATOM 753 NE2 GLN A 53 6.277 -9.916 -14.319 1.00 0.00 N ATOM 0 H GLN A 53 1.039 -10.182 -12.779 1.00 0.00 H new ATOM 0 HA GLN A 53 3.295 -11.372 -11.634 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.728 -9.220 -13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.042 -8.370 -11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.218 -8.480 -12.488 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.164 -10.048 -11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.937 -9.359 -13.776 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.556 -10.301 -15.221 1.00 0.00 H new ATOM 762 N GLY A 54 1.812 -9.158 -9.640 1.00 0.00 N ATOM 763 CA GLY A 54 1.655 -8.660 -8.261 1.00 0.00 C ATOM 764 C GLY A 54 1.020 -7.264 -8.266 1.00 0.00 C ATOM 765 O GLY A 54 -0.094 -7.067 -8.753 1.00 0.00 O ATOM 0 H GLY A 54 1.198 -8.689 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.033 -9.347 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.626 -8.623 -7.768 1.00 0.00 H new ATOM 769 N ILE A 55 1.844 -6.301 -7.871 1.00 0.00 N ATOM 770 CA ILE A 55 1.482 -4.877 -7.750 1.00 0.00 C ATOM 771 C ILE A 55 2.478 -4.026 -8.565 1.00 0.00 C ATOM 772 O ILE A 55 3.682 -4.261 -8.569 1.00 0.00 O ATOM 773 CB ILE A 55 1.478 -4.462 -6.261 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.660 -5.396 -5.342 1.00 0.00 C ATOM 775 CG2 ILE A 55 1.062 -2.995 -6.077 1.00 0.00 C ATOM 776 CD1 ILE A 55 -0.798 -5.665 -5.740 1.00 0.00 C ATOM 0 H ILE A 55 2.814 -6.486 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 55 0.481 -4.713 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 55 2.514 -4.568 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.178 -6.354 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.664 -4.972 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.072 -2.744 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.760 -2.349 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.058 -2.849 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.256 -6.334 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.348 -4.724 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.826 -6.128 -6.727 1.00 0.00 H new ATOM 788 N THR A 56 1.949 -3.026 -9.251 1.00 0.00 N ATOM 789 CA THR A 56 2.728 -2.092 -10.088 1.00 0.00 C ATOM 790 C THR A 56 2.267 -0.656 -9.833 1.00 0.00 C ATOM 791 O THR A 56 1.113 -0.299 -10.055 1.00 0.00 O ATOM 792 CB THR A 56 2.669 -2.527 -11.563 1.00 0.00 C ATOM 793 OG1 THR A 56 3.398 -3.754 -11.666 1.00 0.00 O ATOM 794 CG2 THR A 56 3.234 -1.510 -12.563 1.00 0.00 C ATOM 0 H THR A 56 0.949 -2.826 -9.250 1.00 0.00 H new ATOM 0 HA THR A 56 3.783 -2.121 -9.815 1.00 0.00 H new ATOM 0 HB THR A 56 1.618 -2.628 -11.832 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.383 -4.067 -12.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.148 -1.908 -13.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.673 -0.578 -12.490 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.283 -1.321 -12.336 1.00 0.00 H new ATOM 802 N LEU A 57 3.169 0.061 -9.184 1.00 0.00 N ATOM 803 CA LEU A 57 3.001 1.470 -8.799 1.00 0.00 C ATOM 804 C LEU A 57 3.844 2.348 -9.722 1.00 0.00 C ATOM 805 O LEU A 57 4.995 2.039 -10.027 1.00 0.00 O ATOM 806 CB LEU A 57 3.495 1.646 -7.366 1.00 0.00 C ATOM 807 CG LEU A 57 2.664 0.787 -6.418 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.524 0.327 -5.245 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.461 1.589 -5.937 1.00 0.00 C ATOM 0 H LEU A 57 4.069 -0.324 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 57 1.952 1.754 -8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.546 1.365 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.426 2.694 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 57 2.305 -0.100 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.924 -0.286 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.364 -0.259 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.899 1.197 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.864 0.979 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.804 2.482 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.853 1.881 -6.793 1.00 0.00 H new ATOM 821 N THR A 58 3.191 3.391 -10.201 1.00 0.00 N ATOM 822 CA THR A 58 3.791 4.341 -11.159 1.00 0.00 C ATOM 823 C THR A 58 3.570 5.780 -10.676 1.00 0.00 C ATOM 824 O THR A 58 2.478 6.131 -10.229 1.00 0.00 O ATOM 825 CB THR A 58 3.167 4.148 -12.551 1.00 0.00 C ATOM 826 OG1 THR A 58 1.752 4.346 -12.481 1.00 0.00 O ATOM 827 CG2 THR A 58 3.451 2.762 -13.142 1.00 0.00 C ATOM 0 H THR A 58 2.229 3.616 -9.946 1.00 0.00 H new ATOM 0 HA THR A 58 4.862 4.151 -11.224 1.00 0.00 H new ATOM 0 HB THR A 58 3.627 4.887 -13.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.360 4.224 -13.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.986 2.683 -14.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.528 2.621 -13.237 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.041 1.995 -12.484 1.00 0.00 H new ATOM 835 N ASP A 59 4.654 6.549 -10.649 1.00 0.00 N ATOM 836 CA ASP A 59 4.580 7.977 -10.287 1.00 0.00 C ATOM 837 C ASP A 59 4.052 8.791 -11.473 1.00 0.00 C ATOM 838 O ASP A 59 4.701 8.883 -12.512 1.00 0.00 O ATOM 839 CB ASP A 59 5.953 8.495 -9.853 1.00 0.00 C ATOM 840 CG ASP A 59 5.905 9.909 -9.255 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.424 10.844 -9.941 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.277 10.036 -8.068 1.00 0.00 O ATOM 0 H ASP A 59 5.593 6.218 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 59 3.893 8.089 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.376 7.811 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.623 8.494 -10.713 1.00 0.00 H new ATOM 847 N ASN A 60 2.902 9.406 -11.229 1.00 0.00 N ATOM 848 CA ASN A 60 2.271 10.306 -12.215 1.00 0.00 C ATOM 849 C ASN A 60 2.040 11.726 -11.665 1.00 0.00 C ATOM 850 O ASN A 60 1.530 12.599 -12.362 1.00 0.00 O ATOM 851 CB ASN A 60 0.960 9.670 -12.691 1.00 0.00 C ATOM 852 CG ASN A 60 0.448 10.307 -13.987 1.00 0.00 C ATOM 853 OD1 ASN A 60 1.190 10.692 -14.882 1.00 0.00 O ATOM 854 ND2 ASN A 60 -0.853 10.346 -14.145 1.00 0.00 N ATOM 0 H ASN A 60 2.379 9.305 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 60 2.952 10.427 -13.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.112 8.602 -12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.204 9.774 -11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.251 10.698 -15.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.467 10.024 -13.397 1.00 0.00 H new ATOM 861 N GLN A 61 2.477 11.952 -10.425 1.00 0.00 N ATOM 862 CA GLN A 61 2.364 13.258 -9.755 1.00 0.00 C ATOM 863 C GLN A 61 3.277 14.286 -10.453 1.00 0.00 C ATOM 864 O GLN A 61 2.795 15.154 -11.173 1.00 0.00 O ATOM 865 CB GLN A 61 2.668 13.100 -8.258 1.00 0.00 C ATOM 866 CG GLN A 61 2.621 14.447 -7.527 1.00 0.00 C ATOM 867 CD GLN A 61 3.024 14.331 -6.059 1.00 0.00 C ATOM 868 OE1 GLN A 61 2.045 14.437 -5.194 1.00 0.00 O flip ATOM 869 NE2 GLN A 61 4.182 14.178 -5.699 1.00 0.00 N flip ATOM 0 H GLN A 61 2.921 11.235 -9.851 1.00 0.00 H new ATOM 0 HA GLN A 61 1.345 13.638 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.947 12.417 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.653 12.651 -8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.285 15.152 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.613 14.857 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.925 14.098 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.405 14.130 -4.705 1.00 0.00 H new ATOM 983 N ARG A 67 9.103 3.389 -12.151 1.00 0.00 N ATOM 984 CA ARG A 67 7.952 2.682 -11.575 1.00 0.00 C ATOM 985 C ARG A 67 8.438 1.478 -10.756 1.00 0.00 C ATOM 986 O ARG A 67 9.503 0.916 -11.016 1.00 0.00 O ATOM 987 CB ARG A 67 7.005 2.227 -12.691 1.00 0.00 C ATOM 988 CG ARG A 67 7.692 1.410 -13.787 1.00 0.00 C ATOM 989 CD ARG A 67 6.868 0.168 -14.100 1.00 0.00 C ATOM 990 NE ARG A 67 7.504 -0.550 -15.213 1.00 0.00 N ATOM 991 CZ ARG A 67 7.045 -1.665 -15.783 1.00 0.00 C ATOM 992 NH1 ARG A 67 5.940 -2.261 -15.353 1.00 0.00 N ATOM 993 NH2 ARG A 67 7.688 -2.194 -16.809 1.00 0.00 N ATOM 0 HA ARG A 67 7.409 3.357 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.204 1.631 -12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.541 3.104 -13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.809 2.016 -14.686 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.693 1.122 -13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.805 -0.475 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.848 0.448 -14.364 1.00 0.00 H new ATOM 0 HE ARG A 67 8.372 -0.162 -15.582 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.420 -1.867 -14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.610 -3.113 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.535 -1.750 -17.164 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.338 -3.047 -17.246 1.00 0.00 H new ATOM 1007 N ARG A 68 7.606 1.097 -9.802 1.00 0.00 N ATOM 1008 CA ARG A 68 7.864 -0.073 -8.948 1.00 0.00 C ATOM 1009 C ARG A 68 6.879 -1.208 -9.227 1.00 0.00 C ATOM 1010 O ARG A 68 5.665 -1.016 -9.265 1.00 0.00 O ATOM 1011 CB ARG A 68 7.767 0.329 -7.481 1.00 0.00 C ATOM 1012 CG ARG A 68 9.145 0.265 -6.837 1.00 0.00 C ATOM 1013 CD ARG A 68 8.993 -0.458 -5.502 1.00 0.00 C ATOM 1014 NE ARG A 68 10.233 -0.464 -4.711 1.00 0.00 N ATOM 1015 CZ ARG A 68 11.364 -1.129 -4.957 1.00 0.00 C ATOM 1016 NH1 ARG A 68 11.496 -1.971 -5.975 1.00 0.00 N ATOM 1017 NH2 ARG A 68 12.384 -0.987 -4.128 1.00 0.00 N ATOM 0 H ARG A 68 6.733 1.581 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 68 8.868 -0.432 -9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.363 1.338 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.079 -0.335 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.846 -0.265 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.545 1.268 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.201 0.019 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.679 -1.486 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 68 10.228 0.112 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.713 -2.132 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.380 -2.457 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.299 -0.377 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.255 -1.488 -4.301 1.00 0.00 H new ATOM 1031 N HIS A 69 7.447 -2.401 -9.314 1.00 0.00 N ATOM 1032 CA HIS A 69 6.697 -3.643 -9.579 1.00 0.00 C ATOM 1033 C HIS A 69 7.028 -4.736 -8.555 1.00 0.00 C ATOM 1034 O HIS A 69 8.120 -5.295 -8.532 1.00 0.00 O ATOM 1035 CB HIS A 69 6.851 -4.119 -11.031 1.00 0.00 C ATOM 1036 CG HIS A 69 8.244 -3.891 -11.664 1.00 0.00 C ATOM 1037 ND1 HIS A 69 8.481 -3.091 -12.687 1.00 0.00 N ATOM 1038 CD2 HIS A 69 9.399 -4.373 -11.225 1.00 0.00 C ATOM 1039 CE1 HIS A 69 9.806 -3.061 -12.882 1.00 0.00 C ATOM 1040 NE2 HIS A 69 10.367 -3.850 -11.975 1.00 0.00 N ATOM 0 H HIS A 69 8.450 -2.547 -9.203 1.00 0.00 H new ATOM 0 HA HIS A 69 5.639 -3.412 -9.453 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.623 -5.184 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.106 -3.610 -11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.531 -5.065 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.325 -2.495 -13.642 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.366 -4.026 -11.870 1.00 0.00 H new ATOM 1048 N TYR A 70 6.116 -4.857 -7.603 1.00 0.00 N ATOM 1049 CA TYR A 70 6.170 -5.855 -6.525 1.00 0.00 C ATOM 1050 C TYR A 70 5.501 -7.172 -6.948 1.00 0.00 C ATOM 1051 O TYR A 70 4.312 -7.155 -7.254 1.00 0.00 O ATOM 1052 CB TYR A 70 5.481 -5.323 -5.267 1.00 0.00 C ATOM 1053 CG TYR A 70 6.358 -4.277 -4.585 1.00 0.00 C ATOM 1054 CD1 TYR A 70 7.539 -4.685 -3.978 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.923 -2.965 -4.471 1.00 0.00 C ATOM 1056 CE1 TYR A 70 8.286 -3.782 -3.238 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.665 -2.061 -3.728 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.843 -2.473 -3.112 1.00 0.00 C ATOM 1059 OH TYR A 70 8.517 -1.602 -2.321 1.00 0.00 O ATOM 0 H TYR A 70 5.295 -4.254 -7.550 1.00 0.00 H new ATOM 0 HA TYR A 70 7.222 -6.048 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.518 -4.885 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.281 -6.144 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.875 -5.706 -4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.012 -2.650 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.205 -4.094 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.330 -1.039 -3.627 1.00 0.00 H new ATOM 0 HH TYR A 70 9.467 -1.844 -2.303 1.00 0.00 H new ATOM 1069 N PRO A 71 6.258 -8.266 -7.054 1.00 0.00 N ATOM 1070 CA PRO A 71 5.670 -9.588 -7.349 1.00 0.00 C ATOM 1071 C PRO A 71 4.764 -10.061 -6.201 1.00 0.00 C ATOM 1072 O PRO A 71 4.943 -9.665 -5.051 1.00 0.00 O ATOM 1073 CB PRO A 71 6.870 -10.504 -7.597 1.00 0.00 C ATOM 1074 CG PRO A 71 8.017 -9.846 -6.829 1.00 0.00 C ATOM 1075 CD PRO A 71 7.726 -8.348 -6.927 1.00 0.00 C ATOM 0 HA PRO A 71 5.013 -9.576 -8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.679 -11.515 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.097 -10.582 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.044 -10.179 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.983 -10.093 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.079 -7.816 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.225 -7.902 -7.787 1.00 0.00 H new ATOM 1083 N LEU A 72 3.786 -10.895 -6.534 1.00 0.00 N ATOM 1084 CA LEU A 72 2.849 -11.497 -5.554 1.00 0.00 C ATOM 1085 C LEU A 72 3.591 -12.252 -4.434 1.00 0.00 C ATOM 1086 O LEU A 72 3.211 -12.180 -3.269 1.00 0.00 O ATOM 1087 CB LEU A 72 1.908 -12.458 -6.284 1.00 0.00 C ATOM 1088 CG LEU A 72 0.704 -12.833 -5.417 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -0.514 -12.026 -5.858 1.00 0.00 C ATOM 1090 CD2 LEU A 72 0.437 -14.336 -5.478 1.00 0.00 C ATOM 0 H LEU A 72 3.608 -11.184 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 72 2.284 -10.690 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.562 -11.997 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.452 -13.360 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 72 0.920 -12.589 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.371 -12.294 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.305 -10.962 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.737 -12.245 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.423 -14.578 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.232 -14.628 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.312 -14.876 -5.116 1.00 0.00 H new ATOM 1102 N ASN A 73 4.762 -12.785 -4.794 1.00 0.00 N ATOM 1103 CA ASN A 73 5.726 -13.388 -3.851 1.00 0.00 C ATOM 1104 C ASN A 73 6.097 -12.460 -2.687 1.00 0.00 C ATOM 1105 O ASN A 73 6.087 -12.874 -1.531 1.00 0.00 O ATOM 1106 CB ASN A 73 7.007 -13.778 -4.593 1.00 0.00 C ATOM 1107 CG ASN A 73 6.973 -15.238 -5.038 1.00 0.00 C ATOM 1108 OD1 ASN A 73 5.962 -15.795 -5.443 1.00 0.00 O ATOM 1109 ND2 ASN A 73 8.117 -15.877 -4.987 1.00 0.00 N ATOM 0 H ASN A 73 5.078 -12.813 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 73 5.234 -14.265 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.135 -13.134 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.868 -13.614 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.171 -16.850 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.953 -15.401 -4.647 1.00 0.00 H new ATOM 1116 N THR A 74 6.142 -11.171 -3.008 1.00 0.00 N ATOM 1117 CA THR A 74 6.478 -10.090 -2.067 1.00 0.00 C ATOM 1118 C THR A 74 5.202 -9.333 -1.640 1.00 0.00 C ATOM 1119 O THR A 74 5.192 -8.110 -1.689 1.00 0.00 O ATOM 1120 CB THR A 74 7.518 -9.121 -2.675 1.00 0.00 C ATOM 1121 OG1 THR A 74 6.954 -8.387 -3.767 1.00 0.00 O ATOM 1122 CG2 THR A 74 8.789 -9.830 -3.154 1.00 0.00 C ATOM 0 H THR A 74 5.942 -10.834 -3.950 1.00 0.00 H new ATOM 0 HA THR A 74 6.926 -10.539 -1.180 1.00 0.00 H new ATOM 0 HB THR A 74 7.798 -8.441 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.206 -8.892 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.480 -9.097 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.262 -10.337 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.531 -10.561 -3.920 1.00 0.00 H new ATOM 1130 N VAL A 75 4.122 -10.052 -1.334 1.00 0.00 N ATOM 1131 CA VAL A 75 2.820 -9.502 -0.863 1.00 0.00 C ATOM 1132 C VAL A 75 1.993 -10.669 -0.281 1.00 0.00 C ATOM 1133 O VAL A 75 1.401 -11.459 -1.010 1.00 0.00 O ATOM 1134 CB VAL A 75 2.075 -8.697 -1.970 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.552 -8.619 -1.813 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.477 -7.219 -1.960 1.00 0.00 C ATOM 0 H VAL A 75 4.114 -11.070 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 75 2.989 -8.766 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 75 2.353 -9.245 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.131 -8.038 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.133 -9.625 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.308 -8.139 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.937 -6.690 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.231 -6.782 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.549 -7.132 -2.135 1.00 0.00 H new ATOM 1146 N THR A 76 2.092 -10.824 1.034 1.00 0.00 N ATOM 1147 CA THR A 76 1.338 -11.882 1.753 1.00 0.00 C ATOM 1148 C THR A 76 -0.010 -11.359 2.270 1.00 0.00 C ATOM 1149 O THR A 76 -1.068 -11.924 2.012 1.00 0.00 O ATOM 1150 CB THR A 76 2.125 -12.526 2.913 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.309 -11.628 4.009 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.504 -13.008 2.466 1.00 0.00 C ATOM 0 H THR A 76 2.678 -10.243 1.633 1.00 0.00 H new ATOM 0 HA THR A 76 1.166 -12.662 1.011 1.00 0.00 H new ATOM 0 HB THR A 76 1.520 -13.374 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.810 -12.079 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.025 -13.455 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.391 -13.751 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.081 -12.163 2.090 1.00 0.00 H new ATOM 1160 N PHE A 77 0.077 -10.250 2.996 1.00 0.00 N ATOM 1161 CA PHE A 77 -1.071 -9.565 3.603 1.00 0.00 C ATOM 1162 C PHE A 77 -1.142 -8.155 3.026 1.00 0.00 C ATOM 1163 O PHE A 77 -0.148 -7.437 3.078 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.809 -9.442 5.102 1.00 0.00 C ATOM 1165 CG PHE A 77 -2.049 -9.770 5.915 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -3.046 -8.822 6.101 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.141 -11.029 6.487 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -4.157 -9.149 6.867 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.249 -11.352 7.255 1.00 0.00 C ATOM 1170 CZ PHE A 77 -4.255 -10.411 7.443 1.00 0.00 C ATOM 0 H PHE A 77 0.966 -9.787 3.186 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.993 -10.113 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.001 -10.113 5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.480 -8.429 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.959 -7.842 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.355 -11.754 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.944 -8.424 7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.330 -12.330 7.705 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.119 -10.662 8.041 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.355 -7.768 2.662 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.654 -6.459 2.050 1.00 0.00 C ATOM 1182 C CYS A 78 -4.064 -5.998 2.439 1.00 0.00 C ATOM 1183 O CYS A 78 -5.066 -6.288 1.789 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.440 -6.532 0.530 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.064 -8.060 -0.265 1.00 0.00 S ATOM 0 H CYS A 78 -3.180 -8.356 2.781 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.966 -5.704 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.928 -5.674 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.374 -6.442 0.323 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.312 -8.236 0.053 1.00 0.00 H new ATOM 1191 N ASP A 79 -4.102 -5.412 3.630 1.00 0.00 N ATOM 1192 CA ASP A 79 -5.357 -4.960 4.250 1.00 0.00 C ATOM 1193 C ASP A 79 -5.177 -3.553 4.839 1.00 0.00 C ATOM 1194 O ASP A 79 -4.059 -3.047 4.954 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.834 -5.973 5.301 1.00 0.00 C ATOM 1196 CG ASP A 79 -7.364 -6.110 5.302 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -8.023 -5.117 5.692 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -7.845 -7.180 4.879 1.00 0.00 O ATOM 0 H ASP A 79 -3.272 -5.234 4.196 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.134 -4.900 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.381 -6.944 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.496 -5.660 6.289 1.00 0.00 H new ATOM 1203 N LEU A 80 -6.306 -2.926 5.157 1.00 0.00 N ATOM 1204 CA LEU A 80 -6.315 -1.631 5.856 1.00 0.00 C ATOM 1205 C LEU A 80 -5.558 -1.724 7.178 1.00 0.00 C ATOM 1206 O LEU A 80 -5.293 -2.804 7.708 1.00 0.00 O ATOM 1207 CB LEU A 80 -7.739 -1.139 6.162 1.00 0.00 C ATOM 1208 CG LEU A 80 -8.414 -0.319 5.056 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.586 0.898 4.650 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -8.739 -1.190 3.854 1.00 0.00 C ATOM 0 H LEU A 80 -7.234 -3.291 4.943 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.831 -0.923 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.364 -2.006 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.707 -0.534 7.068 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.351 0.060 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.106 1.446 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.446 1.548 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.614 0.570 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.217 -0.584 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.820 -1.621 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.414 -1.991 4.157 1.00 0.00 H new ATOM 1222 N ASP A 81 -5.151 -0.558 7.646 1.00 0.00 N ATOM 1223 CA ASP A 81 -4.445 -0.479 8.927 1.00 0.00 C ATOM 1224 C ASP A 81 -5.365 -0.894 10.100 1.00 0.00 C ATOM 1225 O ASP A 81 -6.424 -0.290 10.256 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.900 0.938 9.044 1.00 0.00 C ATOM 1227 CG ASP A 81 -4.854 2.003 9.571 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.636 2.559 8.778 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -4.783 2.194 10.799 1.00 0.00 O ATOM 0 H ASP A 81 -5.290 0.336 7.174 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.614 -1.183 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.027 0.913 9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.554 1.251 8.059 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.909 -1.804 10.974 1.00 0.00 N ATOM 1235 CA PRO A 82 -5.668 -2.201 12.179 1.00 0.00 C ATOM 1236 C PRO A 82 -5.657 -1.133 13.289 1.00 0.00 C ATOM 1237 O PRO A 82 -6.281 -1.314 14.327 1.00 0.00 O ATOM 1238 CB PRO A 82 -5.011 -3.509 12.620 1.00 0.00 C ATOM 1239 CG PRO A 82 -3.550 -3.332 12.210 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.635 -2.543 10.903 1.00 0.00 C ATOM 0 HA PRO A 82 -6.730 -2.320 11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.110 -3.665 13.694 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.464 -4.371 12.129 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.984 -2.791 12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.055 -4.292 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.791 -1.861 10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.614 -3.209 10.040 1.00 0.00 H new ATOM 1248 N GLN A 83 -5.066 0.022 12.987 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.990 1.171 13.907 1.00 0.00 C ATOM 1250 C GLN A 83 -5.977 2.282 13.513 1.00 0.00 C ATOM 1251 O GLN A 83 -5.886 3.390 14.036 1.00 0.00 O ATOM 1252 CB GLN A 83 -3.547 1.682 13.863 1.00 0.00 C ATOM 1253 CG GLN A 83 -2.831 1.421 15.189 1.00 0.00 C ATOM 1254 CD GLN A 83 -2.851 2.658 16.091 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.784 2.939 16.827 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -1.778 3.415 16.047 1.00 0.00 N ATOM 0 H GLN A 83 -4.619 0.195 12.087 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.266 0.864 14.916 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.008 1.191 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.542 2.750 13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.308 0.587 15.703 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.799 1.128 14.995 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.006 3.169 15.428 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.717 4.248 16.632 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.974 1.930 12.688 1.00 0.00 N ATOM 1266 CA GLU A 84 -8.005 2.834 12.127 1.00 0.00 C ATOM 1267 C GLU A 84 -7.575 4.313 12.018 1.00 0.00 C ATOM 1268 O GLU A 84 -8.169 5.232 12.578 1.00 0.00 O ATOM 1269 CB GLU A 84 -9.342 2.667 12.873 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.269 2.876 14.395 1.00 0.00 C ATOM 1271 CD GLU A 84 -9.202 1.569 15.194 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -8.507 0.623 14.755 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -9.903 1.529 16.228 1.00 0.00 O ATOM 0 H GLU A 84 -7.094 0.966 12.376 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.144 2.522 11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.062 3.373 12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.727 1.666 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.392 3.480 14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.142 3.444 14.717 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.439 4.477 11.358 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.806 5.790 11.172 1.00 0.00 C ATOM 1282 C ARG A 85 -6.129 6.340 9.780 1.00 0.00 C ATOM 1283 O ARG A 85 -6.768 5.684 8.951 1.00 0.00 O ATOM 1284 CB ARG A 85 -4.289 5.687 11.376 1.00 0.00 C ATOM 1285 CG ARG A 85 -3.857 5.655 12.844 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.504 6.354 13.042 1.00 0.00 C ATOM 1287 NE ARG A 85 -2.626 7.829 13.015 1.00 0.00 N ATOM 1288 CZ ARG A 85 -3.220 8.600 13.936 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -3.800 8.077 15.011 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -3.254 9.916 13.804 1.00 0.00 N ATOM 0 H ARG A 85 -5.923 3.707 10.932 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.204 6.479 11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.927 4.785 10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.809 6.534 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.614 6.142 13.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.788 4.621 13.183 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.073 6.044 13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.814 6.034 12.261 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.216 8.308 12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.800 7.066 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.245 8.686 15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.824 10.358 12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.710 10.488 14.514 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.580 7.516 9.519 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.720 8.210 8.230 1.00 0.00 C ATOM 1306 C LYS A 86 -4.470 9.046 7.989 1.00 0.00 C ATOM 1307 O LYS A 86 -3.944 9.678 8.906 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.966 9.098 8.207 1.00 0.00 C ATOM 1309 CG LYS A 86 -8.216 8.316 7.793 1.00 0.00 C ATOM 1310 CD LYS A 86 -9.268 8.324 8.901 1.00 0.00 C ATOM 1311 CE LYS A 86 -10.641 8.728 8.354 1.00 0.00 C ATOM 1312 NZ LYS A 86 -11.492 7.584 7.996 1.00 0.00 N ATOM 0 H LYS A 86 -5.017 8.028 10.198 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.835 7.470 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.120 9.533 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.810 9.926 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.636 8.751 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.942 7.288 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.330 7.335 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.968 9.017 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.156 9.334 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.502 9.356 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.404 7.929 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.021 7.017 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.655 6.995 8.838 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.957 8.917 6.771 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.780 9.693 6.350 1.00 0.00 C ATOM 1328 C TRP A 87 -3.104 11.192 6.422 1.00 0.00 C ATOM 1329 O TRP A 87 -4.263 11.608 6.368 1.00 0.00 O ATOM 1330 CB TRP A 87 -2.353 9.287 4.935 1.00 0.00 C ATOM 1331 CG TRP A 87 -1.137 10.077 4.427 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -1.138 10.970 3.439 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.154 10.014 4.923 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.089 11.470 3.293 1.00 0.00 N ATOM 1335 CE2 TRP A 87 0.908 10.916 4.180 1.00 0.00 C ATOM 1336 CE3 TRP A 87 0.772 9.154 5.819 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.292 10.952 4.330 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.147 9.234 6.010 1.00 0.00 C ATOM 1339 CH2 TRP A 87 2.905 10.121 5.264 1.00 0.00 C ATOM 0 H TRP A 87 -4.328 8.290 6.058 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.947 9.484 7.021 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.119 8.222 4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.189 9.437 4.252 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.999 11.246 2.848 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.358 12.172 2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.189 8.427 6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 2.887 11.621 3.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.626 8.602 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.974 10.168 5.407 1.00 0.00 H new ATOM 1437 N PRO A 95 -9.459 13.767 5.187 1.00 0.00 N ATOM 1438 CA PRO A 95 -8.645 12.576 5.472 1.00 0.00 C ATOM 1439 C PRO A 95 -8.995 11.447 4.502 1.00 0.00 C ATOM 1440 O PRO A 95 -10.082 11.374 3.930 1.00 0.00 O ATOM 1441 CB PRO A 95 -8.946 12.229 6.929 1.00 0.00 C ATOM 1442 CG PRO A 95 -10.397 12.669 7.106 1.00 0.00 C ATOM 1443 CD PRO A 95 -10.510 13.914 6.219 1.00 0.00 C ATOM 0 HA PRO A 95 -7.577 12.746 5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.823 11.163 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.280 12.755 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.093 11.890 6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.622 12.898 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.498 13.982 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.363 14.824 6.801 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.991 10.614 4.301 1.00 0.00 N ATOM 1452 CA ALA A 96 -8.036 9.531 3.316 1.00 0.00 C ATOM 1453 C ALA A 96 -7.467 8.267 3.959 1.00 0.00 C ATOM 1454 O ALA A 96 -6.296 8.236 4.347 1.00 0.00 O ATOM 1455 CB ALA A 96 -7.204 10.000 2.125 1.00 0.00 C ATOM 0 H ALA A 96 -7.112 10.664 4.816 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.047 9.297 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.202 9.228 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.634 10.916 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.181 10.192 2.449 1.00 0.00 H new ATOM 1461 N LYS A 97 -8.359 7.307 4.210 1.00 0.00 N ATOM 1462 CA LYS A 97 -8.000 6.042 4.875 1.00 0.00 C ATOM 1463 C LYS A 97 -6.781 5.412 4.181 1.00 0.00 C ATOM 1464 O LYS A 97 -6.602 5.516 2.962 1.00 0.00 O ATOM 1465 CB LYS A 97 -9.184 5.070 4.845 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.233 4.206 6.112 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.221 3.040 5.972 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.699 3.408 6.132 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.106 3.391 7.545 1.00 0.00 N ATOM 0 H LYS A 97 -9.346 7.378 3.962 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.748 6.251 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.114 5.630 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.107 4.428 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.238 3.815 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.520 4.825 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.082 2.584 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.970 2.283 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.876 4.398 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.313 2.707 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.112 3.644 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.959 2.439 7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.536 4.077 8.079 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.931 4.853 5.025 1.00 0.00 N ATOM 1484 CA LEU A 98 -4.642 4.312 4.583 1.00 0.00 C ATOM 1485 C LEU A 98 -4.509 2.834 4.976 1.00 0.00 C ATOM 1486 O LEU A 98 -5.063 2.354 5.967 1.00 0.00 O ATOM 1487 CB LEU A 98 -3.497 5.226 5.067 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.908 5.067 6.476 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -3.953 5.006 7.586 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -1.953 3.879 6.516 1.00 0.00 C ATOM 0 H LEU A 98 -6.105 4.758 6.026 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.579 4.314 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.675 5.111 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.849 6.254 4.981 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.346 5.977 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.455 4.893 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.538 5.926 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.614 4.156 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.542 3.776 7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.492 2.970 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.142 4.040 5.806 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.708 2.157 4.178 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.473 0.709 4.275 1.00 0.00 C ATOM 1504 C PHE A 99 -1.990 0.382 4.087 1.00 0.00 C ATOM 1505 O PHE A 99 -1.220 1.187 3.555 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.348 -0.019 3.247 1.00 0.00 C ATOM 1507 CG PHE A 99 -4.109 0.427 1.803 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.509 1.686 1.372 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.502 -0.452 0.918 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.303 2.076 0.060 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.296 -0.065 -0.398 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.695 1.197 -0.827 1.00 0.00 C ATOM 0 H PHE A 99 -3.184 2.598 3.422 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.750 0.365 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.163 -1.091 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.396 0.142 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.984 2.365 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.192 -1.431 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.613 3.056 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.824 -0.745 -1.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.532 1.494 -1.852 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.648 -0.771 4.662 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.283 -1.312 4.616 1.00 0.00 C ATOM 1524 C GLY A 100 -0.319 -2.805 4.295 1.00 0.00 C ATOM 1525 O GLY A 100 -1.224 -3.534 4.707 1.00 0.00 O ATOM 0 H GLY A 100 -2.307 -1.359 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.300 -0.784 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.213 -1.150 5.573 1.00 0.00 H new ATOM 1529 N PHE A 101 0.696 -3.220 3.558 1.00 0.00 N ATOM 1530 CA PHE A 101 0.892 -4.636 3.218 1.00 0.00 C ATOM 1531 C PHE A 101 2.299 -5.111 3.590 1.00 0.00 C ATOM 1532 O PHE A 101 3.253 -4.333 3.583 1.00 0.00 O ATOM 1533 CB PHE A 101 0.601 -4.897 1.734 1.00 0.00 C ATOM 1534 CG PHE A 101 1.467 -4.100 0.768 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.813 -4.412 0.615 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.882 -3.093 0.020 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.589 -3.695 -0.279 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.652 -2.392 -0.894 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.003 -2.691 -1.041 1.00 0.00 C ATOM 0 H PHE A 101 1.408 -2.598 3.176 1.00 0.00 H new ATOM 0 HA PHE A 101 0.180 -5.214 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.738 -5.959 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.446 -4.667 1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.252 -5.212 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.164 -2.856 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.641 -3.914 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.203 -1.613 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.600 -2.139 -1.752 1.00 0.00 H new ATOM 1549 N VAL A 102 2.399 -6.414 3.808 1.00 0.00 N ATOM 1550 CA VAL A 102 3.692 -7.071 4.087 1.00 0.00 C ATOM 1551 C VAL A 102 4.237 -7.831 2.873 1.00 0.00 C ATOM 1552 O VAL A 102 3.728 -8.873 2.456 1.00 0.00 O ATOM 1553 CB VAL A 102 3.689 -7.930 5.360 1.00 0.00 C ATOM 1554 CG1 VAL A 102 3.425 -7.030 6.551 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.617 -9.010 5.396 1.00 0.00 C ATOM 0 H VAL A 102 1.602 -7.050 3.799 1.00 0.00 H new ATOM 0 HA VAL A 102 4.388 -6.257 4.290 1.00 0.00 H new ATOM 0 HB VAL A 102 4.661 -8.422 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.420 -7.626 7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.207 -6.274 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.458 -6.542 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.691 -9.565 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.632 -8.548 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.759 -9.691 4.557 1.00 0.00 H new ATOM 1565 N ALA A 103 5.290 -7.233 2.336 1.00 0.00 N ATOM 1566 CA ALA A 103 5.992 -7.728 1.144 1.00 0.00 C ATOM 1567 C ALA A 103 7.060 -8.772 1.501 1.00 0.00 C ATOM 1568 O ALA A 103 8.087 -8.426 2.086 1.00 0.00 O ATOM 1569 CB ALA A 103 6.616 -6.526 0.427 1.00 0.00 C ATOM 0 H ALA A 103 5.693 -6.377 2.716 1.00 0.00 H new ATOM 0 HA ALA A 103 5.281 -8.230 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.144 -6.867 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.831 -5.827 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.317 -6.027 1.096 1.00 0.00 H new ATOM 1575 N ARG A 104 6.710 -10.046 1.331 1.00 0.00 N ATOM 1576 CA ARG A 104 7.651 -11.154 1.585 1.00 0.00 C ATOM 1577 C ARG A 104 8.662 -11.324 0.442 1.00 0.00 C ATOM 1578 O ARG A 104 8.407 -11.923 -0.599 1.00 0.00 O ATOM 1579 CB ARG A 104 6.855 -12.421 1.903 1.00 0.00 C ATOM 1580 CG ARG A 104 7.669 -13.695 2.119 1.00 0.00 C ATOM 1581 CD ARG A 104 7.529 -14.564 0.872 1.00 0.00 C ATOM 1582 NE ARG A 104 7.260 -15.949 1.277 1.00 0.00 N ATOM 1583 CZ ARG A 104 6.850 -16.931 0.472 1.00 0.00 C ATOM 1584 NH1 ARG A 104 6.742 -16.760 -0.839 1.00 0.00 N ATOM 1585 NH2 ARG A 104 6.575 -18.119 0.982 1.00 0.00 N ATOM 0 H ARG A 104 5.786 -10.344 1.019 1.00 0.00 H new ATOM 0 HA ARG A 104 8.265 -10.923 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.263 -12.237 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.153 -12.598 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 104 8.716 -13.452 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.311 -14.231 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.719 -14.192 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.441 -14.517 0.277 1.00 0.00 H new ATOM 0 HE ARG A 104 7.399 -16.181 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.975 -15.859 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.426 -17.529 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.677 -18.280 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.261 -18.875 0.373 1.00 0.00 H new ATOM 1684 N ASP A 111 12.859 -10.455 6.133 1.00 0.00 N ATOM 1685 CA ASP A 111 12.865 -8.993 5.920 1.00 0.00 C ATOM 1686 C ASP A 111 11.719 -8.568 4.990 1.00 0.00 C ATOM 1687 O ASP A 111 11.836 -8.569 3.769 1.00 0.00 O ATOM 1688 CB ASP A 111 14.205 -8.521 5.333 1.00 0.00 C ATOM 1689 CG ASP A 111 15.415 -8.759 6.242 1.00 0.00 C ATOM 1690 OD1 ASP A 111 16.002 -9.848 6.107 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.761 -7.804 6.970 1.00 0.00 O ATOM 0 HA ASP A 111 12.725 -8.524 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.372 -9.032 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.136 -7.456 5.113 1.00 0.00 H new ATOM 1696 N ASN A 112 10.575 -8.309 5.604 1.00 0.00 N ATOM 1697 CA ASN A 112 9.402 -7.797 4.870 1.00 0.00 C ATOM 1698 C ASN A 112 9.304 -6.276 4.970 1.00 0.00 C ATOM 1699 O ASN A 112 9.551 -5.703 6.034 1.00 0.00 O ATOM 1700 CB ASN A 112 8.107 -8.437 5.379 1.00 0.00 C ATOM 1701 CG ASN A 112 7.933 -9.873 4.877 1.00 0.00 C ATOM 1702 OD1 ASN A 112 8.862 -10.660 4.753 1.00 0.00 O ATOM 1703 ND2 ASN A 112 6.702 -10.246 4.611 1.00 0.00 N ATOM 0 H ASN A 112 10.422 -8.440 6.604 1.00 0.00 H new ATOM 0 HA ASN A 112 9.536 -8.067 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.106 -8.433 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.256 -7.836 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 112 6.514 -11.198 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.934 -9.583 4.717 1.00 0.00 H new ATOM 1710 N VAL A 113 8.951 -5.663 3.847 1.00 0.00 N ATOM 1711 CA VAL A 113 8.728 -4.210 3.796 1.00 0.00 C ATOM 1712 C VAL A 113 7.217 -3.932 3.831 1.00 0.00 C ATOM 1713 O VAL A 113 6.435 -4.603 3.153 1.00 0.00 O ATOM 1714 CB VAL A 113 9.487 -3.609 2.592 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.699 -3.412 1.288 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.181 -2.323 3.031 1.00 0.00 C ATOM 0 H VAL A 113 8.811 -6.142 2.957 1.00 0.00 H new ATOM 0 HA VAL A 113 9.140 -3.704 4.669 1.00 0.00 H new ATOM 0 HB VAL A 113 10.209 -4.374 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.353 -2.983 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.323 -4.374 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.861 -2.738 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.719 -1.893 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.436 -1.611 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.884 -2.545 3.834 1.00 0.00 H new ATOM 1726 N CYS A 114 6.835 -3.057 4.748 1.00 0.00 N ATOM 1727 CA CYS A 114 5.425 -2.657 4.851 1.00 0.00 C ATOM 1728 C CYS A 114 5.242 -1.274 4.229 1.00 0.00 C ATOM 1729 O CYS A 114 5.870 -0.301 4.640 1.00 0.00 O ATOM 1730 CB CYS A 114 4.962 -2.703 6.303 1.00 0.00 C ATOM 1731 SG CYS A 114 3.138 -2.718 6.453 1.00 0.00 S ATOM 0 H CYS A 114 7.460 -2.614 5.422 1.00 0.00 H new ATOM 0 HA CYS A 114 4.801 -3.359 4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.371 -3.592 6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.361 -1.840 6.836 1.00 0.00 H new ATOM 0 HG CYS A 114 2.615 -3.150 5.344 1.00 0.00 H new ATOM 1737 N HIS A 115 4.680 -1.324 3.030 1.00 0.00 N ATOM 1738 CA HIS A 115 4.397 -0.103 2.261 1.00 0.00 C ATOM 1739 C HIS A 115 3.096 0.536 2.736 1.00 0.00 C ATOM 1740 O HIS A 115 2.134 -0.150 3.079 1.00 0.00 O ATOM 1741 CB HIS A 115 4.251 -0.424 0.785 1.00 0.00 C ATOM 1742 CG HIS A 115 5.228 0.369 -0.093 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.186 -0.174 -0.810 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.243 1.685 -0.262 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.821 0.820 -1.445 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.241 1.955 -1.099 1.00 0.00 N ATOM 0 H HIS A 115 4.409 -2.189 2.563 1.00 0.00 H new ATOM 0 HA HIS A 115 5.230 0.583 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.415 -1.491 0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.230 -0.210 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.573 2.400 0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.658 0.712 -2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.513 2.884 -1.420 1.00 0.00 H new ATOM 1754 N LEU A 116 3.130 1.857 2.717 1.00 0.00 N ATOM 1755 CA LEU A 116 1.981 2.672 3.116 1.00 0.00 C ATOM 1756 C LEU A 116 1.374 3.411 1.931 1.00 0.00 C ATOM 1757 O LEU A 116 2.078 3.884 1.038 1.00 0.00 O ATOM 1758 CB LEU A 116 2.400 3.655 4.215 1.00 0.00 C ATOM 1759 CG LEU A 116 2.538 3.068 5.624 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.252 2.361 6.014 1.00 0.00 C ATOM 1761 CD2 LEU A 116 3.747 2.148 5.791 1.00 0.00 C ATOM 0 H LEU A 116 3.945 2.398 2.428 1.00 0.00 H new ATOM 0 HA LEU A 116 1.211 2.006 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.354 4.099 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.670 4.463 4.250 1.00 0.00 H new ATOM 0 HG LEU A 116 2.716 3.904 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.355 1.945 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.427 3.073 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.050 1.557 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.779 1.771 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.666 1.311 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.660 2.705 5.581 1.00 0.00 H new ATOM 1773 N PHE A 117 0.048 3.418 1.953 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.765 4.053 0.906 1.00 0.00 C ATOM 1775 C PHE A 117 -2.076 4.599 1.469 1.00 0.00 C ATOM 1776 O PHE A 117 -2.737 3.936 2.266 1.00 0.00 O ATOM 1777 CB PHE A 117 -1.093 3.031 -0.182 1.00 0.00 C ATOM 1778 CG PHE A 117 0.127 2.593 -0.985 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.629 3.470 -1.933 1.00 0.00 C ATOM 1780 CD2 PHE A 117 0.759 1.378 -0.746 1.00 0.00 C ATOM 1781 CE1 PHE A 117 1.762 3.143 -2.653 1.00 0.00 C ATOM 1782 CE2 PHE A 117 1.900 1.056 -1.470 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.407 1.938 -2.412 1.00 0.00 C ATOM 0 H PHE A 117 -0.502 2.985 2.695 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.187 4.880 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.550 2.155 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.832 3.457 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.133 4.413 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.368 0.694 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.144 3.822 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.396 0.112 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.304 1.687 -2.958 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.439 5.777 0.986 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.721 6.426 1.320 1.00 0.00 C ATOM 1795 C ALA A 118 -4.583 6.587 0.064 1.00 0.00 C ATOM 1796 O ALA A 118 -4.071 6.772 -1.039 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.463 7.802 1.930 1.00 0.00 C ATOM 0 H ALA A 118 -1.858 6.321 0.348 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.248 5.798 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.414 8.276 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.869 7.692 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.922 8.422 1.215 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.891 6.431 0.237 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.851 6.640 -0.869 1.00 0.00 C ATOM 1805 C GLU A 119 -6.754 8.078 -1.420 1.00 0.00 C ATOM 1806 O GLU A 119 -6.728 9.042 -0.664 1.00 0.00 O ATOM 1807 CB GLU A 119 -8.288 6.309 -0.433 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.811 7.221 0.680 1.00 0.00 C ATOM 1809 CD GLU A 119 -10.257 6.955 1.083 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -11.154 7.379 0.328 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -10.423 6.251 2.103 1.00 0.00 O ATOM 0 H GLU A 119 -6.320 6.162 1.122 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.585 5.954 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.949 6.386 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.327 5.274 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.175 7.105 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.722 8.258 0.356 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.539 8.185 -2.724 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.508 9.506 -3.384 1.00 0.00 C ATOM 1820 C LEU A 120 -7.860 9.829 -4.034 1.00 0.00 C ATOM 1821 O LEU A 120 -8.495 10.831 -3.716 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.317 9.580 -4.360 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.158 10.813 -5.278 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.896 10.626 -6.600 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.591 12.144 -4.655 1.00 0.00 C ATOM 0 H LEU A 120 -6.384 7.393 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.350 10.284 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.405 9.494 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.366 8.700 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.083 10.877 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.762 11.512 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.496 9.756 -7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.958 10.476 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.442 12.948 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.645 12.092 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.995 12.340 -3.764 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.305 8.920 -4.895 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.592 9.070 -5.586 1.00 0.00 C ATOM 1839 C ASP A 121 -10.751 8.768 -4.619 1.00 0.00 C ATOM 1840 O ASP A 121 -10.806 7.655 -4.092 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.646 8.155 -6.815 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.303 8.900 -8.111 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.170 9.406 -8.205 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -10.211 8.958 -8.965 1.00 0.00 O ATOM 0 H ASP A 121 -7.797 8.069 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.694 10.100 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -8.950 7.327 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.643 7.723 -6.900 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.729 9.678 -4.513 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.957 9.437 -3.725 1.00 0.00 C ATOM 1851 C PRO A 122 -13.878 8.360 -4.333 1.00 0.00 C ATOM 1852 O PRO A 122 -14.791 7.877 -3.674 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.616 10.812 -3.614 1.00 0.00 C ATOM 1854 CG PRO A 122 -13.193 11.517 -4.902 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.768 11.012 -5.145 1.00 0.00 C ATOM 0 HA PRO A 122 -12.730 9.019 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.700 10.732 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.273 11.351 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.854 11.265 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.220 12.601 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.546 10.952 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.030 11.681 -4.703 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.514 7.890 -5.529 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.169 6.771 -6.240 1.00 0.00 C ATOM 1865 C ASP A 123 -13.502 5.411 -5.976 1.00 0.00 C ATOM 1866 O ASP A 123 -14.097 4.363 -6.215 1.00 0.00 O ATOM 1867 CB ASP A 123 -14.193 7.046 -7.748 1.00 0.00 C ATOM 1868 CG ASP A 123 -15.494 7.698 -8.235 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -16.106 8.454 -7.452 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -15.831 7.440 -9.412 1.00 0.00 O ATOM 0 H ASP A 123 -12.732 8.285 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.185 6.710 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -13.354 7.694 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.045 6.107 -8.282 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.260 5.458 -5.490 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.482 4.256 -5.155 1.00 0.00 C ATOM 1877 C GLN A 124 -10.860 4.398 -3.751 1.00 0.00 C ATOM 1878 O GLN A 124 -9.727 4.865 -3.612 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.409 3.964 -6.207 1.00 0.00 C ATOM 1880 CG GLN A 124 -10.757 2.694 -6.989 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.688 2.946 -8.176 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -11.527 3.875 -8.957 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -12.620 2.046 -8.394 1.00 0.00 N ATOM 0 H GLN A 124 -11.761 6.331 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.163 3.405 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.323 4.808 -6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.439 3.846 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.837 2.235 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.227 1.978 -6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -12.748 1.275 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -13.216 2.118 -9.219 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.647 4.100 -2.709 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.144 4.109 -1.325 1.00 0.00 C ATOM 1894 C PRO A 125 -10.164 2.956 -1.089 1.00 0.00 C ATOM 1895 O PRO A 125 -10.152 1.950 -1.799 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.390 4.028 -0.441 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.408 3.296 -1.313 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.087 3.771 -2.732 1.00 0.00 C ATOM 0 HA PRO A 125 -10.572 5.008 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.191 3.485 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.745 5.019 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.308 2.214 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.430 3.547 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.303 2.995 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.686 4.641 -3.002 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.441 3.084 0.014 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.425 2.103 0.427 1.00 0.00 C ATOM 1908 C ALA A 126 -9.052 0.729 0.725 1.00 0.00 C ATOM 1909 O ALA A 126 -8.608 -0.269 0.168 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.701 2.684 1.635 1.00 0.00 C ATOM 0 H ALA A 126 -9.536 3.871 0.656 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.714 1.925 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.937 1.984 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.232 3.628 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.416 2.856 2.439 1.00 0.00 H new ATOM 1916 N ALA A 127 -10.211 0.739 1.388 1.00 0.00 N ATOM 1917 CA ALA A 127 -11.057 -0.458 1.582 1.00 0.00 C ATOM 1918 C ALA A 127 -11.418 -1.183 0.279 1.00 0.00 C ATOM 1919 O ALA A 127 -11.081 -2.350 0.152 1.00 0.00 O ATOM 1920 CB ALA A 127 -12.317 -0.102 2.376 1.00 0.00 C ATOM 0 H ALA A 127 -10.599 1.582 1.812 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.455 -1.164 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.928 -0.995 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.033 0.292 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.889 0.651 1.833 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.770 -0.427 -0.760 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.030 -0.988 -2.107 1.00 0.00 C ATOM 1928 C ALA A 128 -10.763 -1.550 -2.780 1.00 0.00 C ATOM 1929 O ALA A 128 -10.791 -2.643 -3.344 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.687 0.061 -3.006 1.00 0.00 C ATOM 0 H ALA A 128 -11.885 0.585 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.712 -1.827 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -12.871 -0.368 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.633 0.377 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.026 0.922 -3.103 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.632 -0.899 -2.511 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.291 -1.332 -2.960 1.00 0.00 C ATOM 1938 C ILE A 129 -7.780 -2.567 -2.190 1.00 0.00 C ATOM 1939 O ILE A 129 -7.033 -3.370 -2.738 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.351 -0.102 -2.981 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.681 0.809 -4.179 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -5.846 -0.407 -2.906 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.554 0.148 -5.563 1.00 0.00 C ATOM 0 H ILE A 129 -9.612 -0.038 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.332 -1.704 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.557 0.422 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.700 1.179 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.022 1.676 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.284 0.527 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.628 -0.940 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.557 -1.025 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.808 0.873 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.530 -0.196 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.234 -0.701 -5.624 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.323 -2.774 -0.995 1.00 0.00 N ATOM 1956 CA VAL A 130 -8.036 -3.928 -0.126 1.00 0.00 C ATOM 1957 C VAL A 130 -9.043 -5.079 -0.311 1.00 0.00 C ATOM 1958 O VAL A 130 -8.686 -6.242 -0.173 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.880 -3.400 1.308 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -8.151 -4.434 2.406 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.455 -2.855 1.459 1.00 0.00 C ATOM 0 H VAL A 130 -8.997 -2.128 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.097 -4.406 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.638 -2.629 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.017 -3.971 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.173 -4.801 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.456 -5.267 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.317 -2.473 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.738 -3.654 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.296 -2.050 0.742 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.262 -4.733 -0.702 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.324 -5.696 -1.031 1.00 0.00 C ATOM 1973 C ASN A 131 -10.993 -6.433 -2.336 1.00 0.00 C ATOM 1974 O ASN A 131 -11.211 -7.632 -2.439 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.667 -4.963 -1.119 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.790 -5.914 -1.536 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -14.297 -6.718 -0.768 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.087 -5.920 -2.816 1.00 0.00 N ATOM 0 H ASN A 131 -10.553 -3.761 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.395 -6.447 -0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.905 -4.517 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.592 -4.147 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.750 -6.603 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.655 -5.242 -3.443 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.343 -5.718 -3.248 1.00 0.00 N ATOM 1986 CA PHE A 132 -9.919 -6.257 -4.551 1.00 0.00 C ATOM 1987 C PHE A 132 -8.579 -7.000 -4.455 1.00 0.00 C ATOM 1988 O PHE A 132 -8.489 -8.144 -4.894 1.00 0.00 O ATOM 1989 CB PHE A 132 -9.865 -5.100 -5.553 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.078 -5.415 -6.829 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.215 -6.624 -7.507 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.084 -4.521 -7.195 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.361 -6.930 -8.558 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.245 -4.821 -8.256 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.379 -6.025 -8.938 1.00 0.00 C ATOM 0 H PHE A 132 -10.090 -4.740 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.641 -6.999 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.883 -4.822 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.417 -4.233 -5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.985 -7.323 -7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.964 -3.594 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -8.460 -7.871 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -6.483 -4.116 -8.555 1.00 0.00 H new ATOM 0 HZ PHE A 132 -6.720 -6.256 -9.762 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.607 -6.382 -3.787 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.263 -6.972 -3.613 1.00 0.00 C ATOM 2007 C VAL A 133 -6.323 -8.299 -2.824 1.00 0.00 C ATOM 2008 O VAL A 133 -5.535 -9.206 -3.070 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.316 -5.913 -3.014 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.433 -5.722 -1.497 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -3.870 -6.154 -3.443 1.00 0.00 C ATOM 0 H VAL A 133 -7.718 -5.466 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.849 -7.253 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.653 -4.966 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.728 -4.958 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.447 -5.410 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.208 -6.662 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.228 -5.390 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.549 -7.138 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.800 -6.106 -4.530 1.00 0.00 H new ATOM 2021 N SER A 134 -7.316 -8.386 -1.939 1.00 0.00 N ATOM 2022 CA SER A 134 -7.609 -9.596 -1.147 1.00 0.00 C ATOM 2023 C SER A 134 -8.537 -10.573 -1.890 1.00 0.00 C ATOM 2024 O SER A 134 -8.366 -11.780 -1.762 1.00 0.00 O ATOM 2025 CB SER A 134 -8.241 -9.195 0.186 1.00 0.00 C ATOM 2026 OG SER A 134 -7.852 -10.106 1.215 1.00 0.00 O ATOM 0 H SER A 134 -7.952 -7.612 -1.744 1.00 0.00 H new ATOM 0 HA SER A 134 -6.664 -10.113 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.934 -8.183 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.327 -9.184 0.092 1.00 0.00 H new ATOM 0 HG SER A 134 -8.262 -9.836 2.063 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.408 -10.047 -2.758 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.322 -10.865 -3.587 1.00 0.00 C ATOM 2034 C ARG A 135 -9.599 -11.611 -4.712 1.00 0.00 C ATOM 2035 O ARG A 135 -9.816 -12.803 -4.909 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.425 -10.029 -4.234 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.757 -10.252 -3.526 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.848 -10.368 -4.587 1.00 0.00 C ATOM 2039 NE ARG A 135 -15.146 -10.624 -3.948 1.00 0.00 N ATOM 2040 CZ ARG A 135 -16.268 -10.983 -4.575 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -16.291 -11.235 -5.878 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -17.384 -11.155 -3.886 1.00 0.00 N ATOM 0 H ARG A 135 -9.505 -9.043 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.752 -11.582 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.159 -8.973 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.519 -10.294 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.718 -11.157 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.971 -9.425 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.896 -9.450 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.609 -11.175 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 135 -15.194 -10.518 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.436 -11.156 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -17.164 -11.507 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -17.387 -11.013 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -18.242 -11.429 -4.365 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.756 -10.878 -5.441 1.00 0.00 N ATOM 2057 CA VAL A 136 -7.923 -11.447 -6.520 1.00 0.00 C ATOM 2058 C VAL A 136 -6.941 -12.511 -5.981 1.00 0.00 C ATOM 2059 O VAL A 136 -6.513 -13.408 -6.704 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.238 -10.308 -7.300 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.000 -9.698 -6.626 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -6.945 -10.769 -8.726 1.00 0.00 C ATOM 0 H VAL A 136 -8.626 -9.875 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.558 -11.983 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.948 -9.481 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.595 -8.907 -7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.280 -9.283 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.245 -10.471 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.461 -9.963 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.286 -11.637 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.879 -11.037 -9.221 1.00 0.00 H new ATOM 2072 N MET A 137 -6.611 -12.350 -4.703 1.00 0.00 N ATOM 2073 CA MET A 137 -5.736 -13.257 -3.948 1.00 0.00 C ATOM 2074 C MET A 137 -6.565 -14.198 -3.067 1.00 0.00 C ATOM 2075 O MET A 137 -7.794 -14.205 -3.089 1.00 0.00 O ATOM 2076 CB MET A 137 -4.783 -12.436 -3.075 1.00 0.00 C ATOM 2077 CG MET A 137 -3.597 -11.929 -3.888 1.00 0.00 C ATOM 2078 SD MET A 137 -2.369 -11.057 -2.853 1.00 0.00 S ATOM 2079 CE MET A 137 -2.336 -9.525 -3.756 1.00 0.00 C ATOM 0 H MET A 137 -6.951 -11.567 -4.145 1.00 0.00 H new ATOM 0 HA MET A 137 -5.162 -13.859 -4.652 1.00 0.00 H new ATOM 0 HB2 MET A 137 -5.318 -11.592 -2.641 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.426 -13.047 -2.246 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.116 -12.770 -4.388 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.955 -11.257 -4.668 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.986 -8.725 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.662 -9.619 -4.608 1.00 0.00 H new ATOM 0 HE3 MET A 137 -3.339 -9.290 -4.111 1.00 0.00 H new